data_1d1d_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 1d1d _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 ' 15' ' ' GLU . . . . . 0.474 ' HG3' ' CD1' ' A' ' 18' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 20' ' ' THR . 18.2 Cg_endo -74.99 -23.68 13.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.487 1.783 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 58.8 pttt -57.4 -44.89 84.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.474 ' CD1' ' HG3' ' A' ' 15' ' ' GLU . 34.2 mt -65.53 -47.79 74.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.41 ' CG2' HD13 ' A' ' 56' ' ' LEU . 14.1 mt -63.5 -35.68 73.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 16' ' ' PRO . 3.3 m -61.45 -42.96 99.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.431 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.489 ' CG ' ' N ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.59 -42.75 98.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.489 ' N ' ' CG ' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -67.2 -45.5 76.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.92 -31.24 72.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.473 ' O ' ' CG2' ' A' ' 28' ' ' THR . 5.5 t70 -60.8 -42.36 97.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.506 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.9 m -65.59 -38.05 88.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.404 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.472 HG12 ' CG2' ' A' ' 36' ' ' THR . 52.5 t -60.53 -49.08 85.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -45.72 91.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.473 ' CG2' ' O ' ' A' ' 24' ' ' ASP . 70.4 p -63.99 -30.37 71.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 25' ' ' THR . 12.9 mmtt -88.52 -14.36 37.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 102.65 127.25 6.05 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.411 ' CD2' HG11 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -67.32 -30.12 69.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 109.306 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.493 ' CZ ' ' O ' ' A' ' 144' ' ' ALA . 3.8 mtt-85 -89.01 2.19 54.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.72 163.57 43.39 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.974 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.431 ' C ' ' N ' ' A' ' 36' ' ' THR . 18.4 Cg_endo -74.98 -38.23 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.807 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.469 HG23 ' CG ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -45.25 -26.18 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.472 ' CG2' HG12 ' A' ' 26' ' ' VAL . 87.6 m -58.31 -49.19 78.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.378 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 18.2 mmt -64.39 -32.55 74.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.06 -52.38 24.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.14 -47.47 84.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.446 ' CG1' ' SD ' ' A' ' 44' ' ' MET . 56.3 t -60.38 -44.11 95.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 45' ' ' SER . 37.6 mt-10 -66.27 -24.4 66.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.31 -55.02 28.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.244 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.491 ' CD1' ' CD2' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -72.04 -48.93 40.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.488 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 24.2 mtt -68.5 -10.59 56.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' GLU . 11.3 t -37.2 -32.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -106.97 164.82 14.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 149.18 36.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.516 ' CD1' ' CG2' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -146.83 -173.29 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.7 163.29 30.82 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -32.44 5.48 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -67.29 -48.88 66.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -63.22 -32.66 74.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.542 HG12 ' CH2' ' A' ' 69' ' ' TRP . 2.4 t -55.02 -46.34 77.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.6 p -66.59 -40.71 89.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -62.17 -40.78 97.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.491 ' CD2' ' CD1' ' A' ' 43' ' ' LEU . 7.0 tp -66.79 -53.59 31.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.504 ' O ' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -56.98 -40.15 76.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.968 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -57.53 -35.65 70.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.4 t -74.61 -40.14 47.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.407 HG21 ' CE2' ' A' ' 140' ' ' PHE . 2.4 mt -71.16 -44.62 73.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.504 ' CD2' ' O ' ' A' ' 57' ' ' MET . 0.4 OUTLIER -120.42 135.0 55.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.574 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -49.05 -179.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.579 1.174 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -23.89 13.37 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.544 1.813 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.498 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -65.21 -56.4 20.2 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.574 ' HD2' ' C ' ' A' ' 62' ' ' GLY . 18.3 Cg_endo -75.05 -22.14 15.04 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.506 1.793 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.444 ' OH ' ' CE ' ' A' ' 70' ' ' MET . 33.5 t80 -54.51 -46.85 73.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.78 -37.66 87.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.473 ' CB ' HG23 ' A' ' 143' ' ' VAL . 6.8 mp -63.74 -31.26 72.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.689 ' CH2' ' CE3' ' A' ' 73' ' ' TRP . 38.4 t90 -70.33 -34.66 72.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 107.975 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.444 ' CE ' ' OH ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -62.63 -42.16 99.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -63.37 -46.95 84.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.13 71.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.689 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 11.5 t90 -66.06 -41.17 91.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 108.004 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.441 ' O ' ' NE2' ' A' ' 78' ' ' GLN . . . -58.96 -45.64 94.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.14 -47.53 78.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -56.21 -42.73 77.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.1 mt -64.88 -46.24 82.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 74' ' ' GLY . 25.3 mt-30 -59.84 -37.59 79.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.1 -35.62 79.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.396 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.66 -38.5 73.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.448 ' CD1' HG23 ' A' ' 101' ' ' THR . 29.5 mm -64.75 -48.98 82.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.25 -39.72 89.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.05 79.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.404 ' HB1' ' CB ' ' A' ' 90' ' ' HIS . . . -61.52 -37.09 82.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.8 m -67.41 -37.9 83.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.414 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -74.99 -39.07 61.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.17 105.94 48.08 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.15 3.56 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -153.48 22.49 0.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.404 ' CB ' ' HB1' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -77.73 142.22 65.45 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.602 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -22.04 15.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.802 . . . . 0.0 111.045 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.61 -9.28 58.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.448 HG23 ' CD1' ' A' ' 81' ' ' ILE . 7.9 t -72.84 155.56 39.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.404 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -137.2 149.64 47.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.416 HD13 ' N ' ' A' ' 78' ' ' GLN . 2.0 tp -63.66 -40.78 97.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -44.8 95.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -46.66 86.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.469 HD21 ' CG1' ' A' ' 132' ' ' ILE . 28.5 mt -65.2 -22.26 66.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -76.62 -42.0 43.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 103.33 23.59 8.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.44 ' C ' ' CG2' ' A' ' 114' ' ' VAL . 0.2 OUTLIER -94.61 -3.75 49.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.787 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.49 ' CB ' ' SD ' ' A' ' 113' ' ' MET . . . -63.28 141.08 58.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.76 130.64 33.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.71 -17.53 59.12 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.49 ' SD ' ' CB ' ' A' ' 110' ' ' ALA . 0.1 OUTLIER -102.35 -32.09 10.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 110.985 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.44 ' CG2' ' C ' ' A' ' 109' ' ' LEU . 2.6 t -68.98 122.57 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 86.34 2.34 85.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.112 . . . . 0.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 1.3 m-20 -141.57 101.95 6.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.77 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -58.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 0.0 110.964 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -53.69 50.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.1 -34.28 78.68 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.546 1.154 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.452 ' CG ' HD12 ' A' ' 124' ' ' LEU . 31.1 tt0 -66.12 -44.47 84.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 110.349 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.32 -37.74 86.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.35 -23.8 62.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.088 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.471 HD11 ' CE ' ' A' ' 113' ' ' MET . 0.4 OUTLIER -80.65 -37.97 29.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.452 HD12 ' CG ' ' A' ' 120' ' ' GLN . 0.5 OUTLIER -85.68 116.12 23.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.99 157.92 0.27 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 109.03 2.85 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.502 1.79 . . . . 0.0 111.042 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 152.84 -44.53 0.61 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -33.05 70.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.4 mt -60.65 -44.08 96.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.4 t -59.85 -39.95 81.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.76 -42.39 79.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.469 ' CG1' HD21 ' A' ' 106' ' ' LEU . 50.2 mt -67.57 -39.31 82.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.477 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 26.1 m -63.41 -47.48 81.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.25 -47.94 69.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 46.3 p -56.88 -33.75 67.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.53 -41.32 72.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.488 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -62.96 -36.79 84.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -68.16 -40.3 82.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.263 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.498 ' HB1' ' CD1' ' A' ' 69' ' ' TRP . . . -67.18 -29.37 69.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.407 ' CE2' HG21 ' A' ' 60' ' ' ILE . 27.6 t80 -65.21 -50.26 66.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.74 -29.63 68.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -65.86 -39.93 91.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.473 HG23 ' CB ' ' A' ' 68' ' ' LEU . 25.2 t -74.97 -42.05 45.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.493 ' O ' ' CZ ' ' A' ' 32' ' ' ARG . . . -55.21 -36.18 65.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' PRO . . . . . 0.576 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.007 -0.42 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' TRP . . . . . 0.576 ' CE3' ' HG2' ' A' ' 152' ' ' PRO . 31.0 p90 -101.24 -20.63 15.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 108.026 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.84 -32.02 73.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.1 -21.42 46.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.556 HG23 ' CE1' ' A' ' 167' ' ' PHE . 7.0 mt -83.54 120.42 34.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.609 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 3.0 m -131.8 133.8 45.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . 0.582 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 22.2 tp60 -73.6 128.41 35.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.158 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -118.76 166.2 12.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -25.42 12.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.443 1.759 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.43 -27.77 59.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.42 135.13 45.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.41 ' HB2' ' CB ' ' A' ' 166' ' ' ASP . 65.3 m -57.82 151.38 17.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . 0.569 ' CE2' HG22 ' A' ' 219' ' ' ILE . 1.1 t80 -69.74 -43.1 72.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.451 HG21 ' CG2' ' A' ' 219' ' ' ILE . 1.0 OUTLIER -70.79 -46.55 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.41 ' CB ' ' HB2' ' A' ' 163' ' ' SER . 13.5 t70 -56.26 -48.08 77.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.609 ' CE1' ' C ' ' A' ' 157' ' ' THR . 59.7 t80 -66.47 -42.51 87.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -56.23 -37.38 69.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -63.65 -44.05 94.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -62.52 -37.42 86.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 0.52 HD13 ' CE2' ' A' ' 167' ' ' PHE . 0.5 OUTLIER -70.82 -49.93 41.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . 0.421 ' CG1' HG21 ' A' ' 189' ' ' ILE . 23.3 mt -57.77 -43.93 84.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -61.87 -36.2 80.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.48 -52.51 31.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . . . . . . . . . 40.0 t -57.15 -44.99 84.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.411 ' OE2' ' CG2' ' A' ' 172' ' ' ILE . 1.7 mt-10 -53.38 -39.45 64.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -103.77 35.19 5.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 5.0 p -118.97 166.41 12.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 0.809 . . . . 0.0 109.992 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -89.04 76.4 7.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.572 HD11 ' CH2' ' A' ' 153' ' ' TRP . 29.9 mt -123.82 155.32 66.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . 0.466 ' HD2' ' CB ' ' A' ' 184' ' ' ALA . 18.3 Cg_endo -75.04 167.1 27.75 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 64.0 6.07 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.468 1.773 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 4.2 t -179.73 -37.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.459 1.099 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.466 ' CB ' ' HD2' ' A' ' 181' ' ' PRO . . . -72.19 -11.74 60.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 21.0 mtm105 -84.49 67.55 9.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.512 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 175.45 -57.54 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 187' ' ' PRO . . . . . 0.512 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.4 Cg_endo -74.91 -26.61 10.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 44.8 t -68.42 -41.38 83.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 189' ' ' ILE . . . . . 0.421 HG21 ' CG1' ' A' ' 172' ' ' ILE . 24.4 mt -66.67 -48.87 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 190' ' ' ILE . . . . . 0.403 ' CD1' ' C ' ' A' ' 213' ' ' THR . 65.3 mt -68.26 -37.81 78.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 191' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 187' ' ' PRO . 6.7 t70 -62.11 -36.21 81.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 192' ' ' CYS . . . . . 0.412 ' HA ' ' HB2' ' A' ' 195' ' ' GLN . 14.6 m -60.41 -46.52 89.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 193' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -56.71 -50.59 71.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -78.32 2.67 17.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . 0.412 ' HB2' ' HA ' ' A' ' 192' ' ' CYS . 0.0 OUTLIER -81.08 -56.06 4.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.248 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 196' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 197' ' ' SER . 41.6 tttm -126.79 -84.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 197' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 196' ' ' LYS . 3.8 m 34.44 -150.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.996 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 198' ' ' GLN . . . . . 0.511 ' CD ' ' N ' ' A' ' 198' ' ' GLN . 0.0 OUTLIER -107.57 170.33 5.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -33.91 4.23 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.536 1.808 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -63.97 -50.1 69.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 18.5 mm -70.27 -44.18 77.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -56.14 -46.45 79.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -61.05 -31.24 70.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . 0.579 HD22 ' CE2' ' A' ' 221' ' ' TYR . 0.6 OUTLIER -68.49 -49.68 57.92 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.45 ' O ' ' CB ' ' A' ' 208' ' ' ALA . 0.5 OUTLIER -63.3 -48.16 88.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -60.46 -36.29 77.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -86.92 5.02 39.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.244 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 208' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 205' ' ' ILE . . . -70.36 161.54 75.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 154.96 42.92 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.83 24.3 4.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 15.1 t -107.44 -6.28 17.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.373 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 212' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.61 142.59 30.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 213' ' ' THR . . . . . 0.403 ' C ' ' CD1' ' A' ' 190' ' ' ILE . 1.1 p -158.03 47.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 72.3 p -121.7 158.39 54.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.382 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 55.17 3.86 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.483 1.78 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -160.78 -53.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.3 -35.49 63.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.8 -43.11 96.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 219' ' ' ILE . . . . . 0.569 HG22 ' CE2' ' A' ' 164' ' ' PHE . 5.0 mt -75.15 -44.42 43.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -55.88 -42.71 76.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.579 ' CE2' HD22 ' A' ' 204' ' ' LEU . 1.0 OUTLIER -67.66 -45.42 75.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 5.6 t -60.11 -44.61 95.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.436 HD13 ' CG2' ' A' ' 165' ' ' VAL . 85.0 mt -65.47 -37.94 88.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -65.18 -33.07 75.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.323 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 225' ' ' ARG . . . . . 0.481 ' CB ' HD21 ' A' ' 204' ' ' LEU . 0.7 OUTLIER -79.44 -43.81 22.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.285 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 110.309 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.463 ' HG2' ' CD1' ' A' ' 18' ' ' LEU . 3.7 tp10 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.03 -32.67 5.15 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.458 1.767 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -65.28 -47.09 77.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.463 ' CD1' ' HG2' ' A' ' 15' ' ' GLU . 96.7 mt -69.14 -39.25 78.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.435 HG21 ' CD1' ' A' ' 56' ' ' LEU . 64.6 mt -70.54 -36.58 66.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 16' ' ' PRO . 5.4 m -64.08 -50.29 68.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.362 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 22' ' ' LEU . 5.1 ptp180 -61.64 -40.65 95.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.432 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 1.2 mt -66.43 -45.79 78.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.28 -32.27 73.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -47.63 83.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.506 ' CG2' ' OE2' ' A' ' 39' ' ' GLU . 1.2 m -61.24 -37.76 84.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.416 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.457 ' CG1' HD23 ' A' ' 31' ' ' LEU . 2.3 t -63.34 -41.29 92.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -67.29 -47.98 69.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.4 p -70.22 -30.77 67.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.372 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 25' ' ' THR . 16.0 mmtt -81.05 -13.96 58.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.08 128.65 0.36 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.457 HD23 ' CG1' ' A' ' 26' ' ' VAL . 0.9 OUTLIER -67.25 -20.06 65.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -89.2 2.4 54.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -105.27 153.55 39.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.947 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.424 ' O ' ' CB ' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -74.99 97.89 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 111.036 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.424 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 0.1 OUTLIER 168.43 -31.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.453 HG23 ' CG1' ' A' ' 26' ' ' VAL . 2.8 m -58.53 -47.79 83.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.424 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 32.0 mmt -64.36 -41.43 96.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.29 -50.5 65.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.506 ' OE2' ' CG2' ' A' ' 25' ' ' THR . 46.5 mt-10 -59.87 -47.46 85.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.473 ' CG1' ' SD ' ' A' ' 44' ' ' MET . 37.7 t -60.75 -49.04 86.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' SER . 7.6 mt-10 -63.37 -24.2 67.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.89 -55.86 25.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 1.2 pp -73.08 -44.64 60.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.511 ' CE ' ' CE ' ' A' ' 57' ' ' MET . 14.8 mtt -69.83 -9.93 56.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' GLU . 46.9 t -35.34 -35.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' MET . 6.7 p -101.38 158.9 30.9 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 149.87 37.54 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 0.0 111.025 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.474 HD11 ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -149.56 -177.04 5.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.401 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 9.0 mt -86.5 162.49 45.17 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.02 -26.25 11.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.804 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -67.93 -51.12 51.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.562 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -62.87 -32.22 73.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.474 ' CG2' HD11 ' A' ' 48' ' ' LEU . 9.5 t -54.49 -44.52 68.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.491 HG22 ' CE ' ' A' ' 70' ' ' MET . 18.9 p -65.64 -36.98 85.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.384 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -67.38 -43.54 81.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.435 ' CD1' HG21 ' A' ' 19' ' ' ILE . 14.4 tp -66.68 -54.39 23.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.551 ' HG2' ' CE2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -57.82 -39.92 78.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 61' ' ' LEU . 8.2 ttt85 -56.7 -36.86 70.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.3 t -74.63 -35.43 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mt -72.79 -43.64 60.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -121.94 130.36 53.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.575 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -50.01 -178.2 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.412 ' HA ' ' HB3' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.06 -18.75 18.34 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.511 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -71.1 -56.76 5.29 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.575 ' HD2' ' C ' ' A' ' 62' ' ' GLY . 18.2 Cg_endo -75.0 -24.05 13.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.455 1.766 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.412 ' HB3' ' HA ' ' A' ' 63' ' ' PRO . 2.9 t80 -55.55 -40.85 72.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.49 -36.83 85.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.473 ' CB ' HG21 ' A' ' 143' ' ' VAL . 7.4 mp -66.54 -42.51 87.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.551 ' CE2' ' HG2' ' A' ' 57' ' ' MET . 28.3 t90 -68.74 -34.51 75.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 107.986 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.491 ' CE ' HG22 ' A' ' 54' ' ' THR . 0.9 OUTLIER -65.98 -36.21 82.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -71.56 -47.48 54.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.86 -45.82 80.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.482 ' CZ3' ' HE2' ' A' ' 70' ' ' MET . 19.9 t90 -50.66 -42.02 56.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 108.017 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.403 ' O ' ' OE1' ' A' ' 78' ' ' GLN . . . -58.76 -44.09 96.06 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.2 t -67.91 -46.27 82.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.422 ' NE2' ' HA ' ' A' ' 76' ' ' GLN . 18.1 mm100 -54.43 -46.18 73.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.421 ' CD2' HD11 ' A' ' 106' ' ' LEU . 3.1 mt -56.79 -42.12 78.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.424 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.6 OUTLIER -67.79 -30.21 69.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 110.274 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.84 -35.19 78.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.402 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.5 t -69.32 -35.35 67.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.5 mp -75.49 -50.1 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.9 -47.43 85.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.77 -43.19 80.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.14 -49.01 78.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.175 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.43 -29.35 69.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -75.14 -41.58 58.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.252 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -129.35 115.66 18.52 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 54.94 3.77 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.553 1.817 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.44 14.35 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.442 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -83.84 134.37 44.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.599 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -22.08 15.22 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.53 -22.12 66.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 90' ' ' HIS . 14.5 p30 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.438 ' HG1' ' N ' ' A' ' 102' ' ' ASN . 2.6 t -74.49 170.2 16.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 110.369 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.438 ' N ' ' HG1' ' A' ' 101' ' ' THR . 0.4 OUTLIER -153.88 146.67 24.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.367 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 78' ' ' GLN . 1.2 tp -56.0 -30.88 62.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -66.23 -44.93 82.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -59.48 -47.33 85.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.421 HD11 ' CD2' ' A' ' 77' ' ' LEU . 48.0 mt -71.66 -15.76 62.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.85 -57.04 6.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.458 ' HA2' ' CE ' ' A' ' 113' ' ' MET . . . 113.74 22.26 5.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -104.92 5.34 32.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 0.772 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.39 171.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.06 124.18 24.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.249 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 83.45 9.6 83.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.461 ' HE3' ' CD1' ' A' ' 124' ' ' LEU . 45.9 mtp -103.32 -22.7 13.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.63 134.54 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.77 3.18 66.41 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.13 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.77 99.4 2.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.412 ' O ' ' HG2' ' A' ' 120' ' ' GLN . 18.4 Cg_endo -75.0 -37.53 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -77.48 -32.23 54.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -76.38 -42.62 22.41 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.453 1.096 . . . . 0.0 111.037 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.438 ' HG3' ' N ' ' A' ' 121' ' ' ALA . 21.6 pt20 -61.24 -44.54 97.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.438 ' N ' ' HG3' ' A' ' 120' ' ' GLN . . . -61.52 -42.61 99.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.78 -19.04 61.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.403 ' CD2' ' HG ' ' A' ' 124' ' ' LEU . 0.2 OUTLIER -79.49 -30.99 42.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.351 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.461 ' CD1' ' HE3' ' A' ' 113' ' ' MET . 1.0 OUTLIER -88.53 103.56 16.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.409 ' HD2' ' N ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -39.19 159.09 0.11 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.327 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 108.5 2.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.544 1.813 . . . . 0.0 110.992 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 154.69 -41.59 0.61 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.25 -39.54 89.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.1 mt -59.13 -42.39 90.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.9 t -59.26 -39.87 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.71 -41.02 76.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.254 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 42.0 mt -69.01 -38.81 78.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.486 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 21.5 m -63.9 -48.68 75.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.34 -43.74 93.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 82.5 p -63.69 -34.1 77.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.984 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.7 -39.8 80.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.486 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -70.08 -34.02 72.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -71.84 -39.82 69.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.84 -33.06 74.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -65.45 -57.36 8.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.949 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -24.7 50.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -68.13 -41.87 81.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.473 HG21 ' CB ' ' A' ' 68' ' ' LEU . 5.4 t -68.92 -40.59 81.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -64.5 -49.57 70.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' PRO . . . . . 0.515 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.853 0 N-CA-C 110.975 -0.433 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' TRP . . . . . 0.595 ' CZ3' ' CD1' ' A' ' 180' ' ' LEU . 32.6 p90 -51.63 -26.5 9.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 107.968 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.86 76.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 152' ' ' PRO . 62.0 m-20 -87.31 -22.09 25.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.521 HG22 ' CE1' ' A' ' 167' ' ' PHE . 26.4 mt -85.56 120.87 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.517 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 18.6 p -128.9 145.39 51.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.397 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . 0.464 ' CG ' ' HB3' ' A' ' 197' ' ' SER . 1.9 tp-100 -76.97 104.6 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . 0.42 ' O ' ' OE1' ' A' ' 158' ' ' GLN . . . -106.35 163.84 13.61 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -17.84 19.18 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.64 -24.5 58.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -120.33 135.47 55.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 27.4 m -57.56 156.52 8.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.954 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -65.02 -52.14 57.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.453 HG21 ' CD1' ' A' ' 223' ' ' LEU . 0.8 OUTLIER -62.85 -45.48 98.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.437 ' N ' ' CG1' ' A' ' 165' ' ' VAL . 1.1 m-20 -56.31 -47.84 77.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.521 ' CE1' HG22 ' A' ' 156' ' ' ILE . 9.5 t80 -67.17 -33.73 76.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 193' ' ' PHE . . . -64.71 -33.35 75.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -67.23 -49.69 63.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.404 ' HD2' ' N ' ' A' ' 170' ' ' ARG . 4.2 mpt_? -61.88 -37.74 85.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 0.419 HD12 ' CE2' ' A' ' 167' ' ' PHE . 3.5 tt -69.46 -49.36 55.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . 0.4 ' CG1' HG21 ' A' ' 189' ' ' ILE . 36.7 mt -57.81 -45.67 87.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -60.74 -35.58 76.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.83 -51.98 34.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . . . . . . . . . 46.8 t -57.15 -46.71 84.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -52.17 -40.71 61.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -100.22 27.77 18.81 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.559 1.162 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 26.2 p -111.73 166.08 11.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 110.014 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.7 84.52 5.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.595 ' CD1' ' CZ3' ' A' ' 153' ' ' TRP . 27.9 mt -129.18 156.94 77.48 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 162.02 37.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' PRO . . . . . 0.426 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.3 Cg_endo -74.97 78.69 2.83 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.486 1.782 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 183' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.5 OUTLIER 163.9 -30.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -81.12 -11.64 59.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -83.6 69.94 10.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.528 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 175.08 -57.76 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 187' ' ' PRO . . . . . 0.528 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -74.98 -28.39 9.25 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.518 1.799 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 24.1 t -67.47 -38.81 81.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 189' ' ' ILE . . . . . 0.4 HG21 ' CG1' ' A' ' 172' ' ' ILE . 53.9 mt -66.72 -48.32 80.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 190' ' ' ILE . . . . . 0.508 ' CD1' ' C ' ' A' ' 213' ' ' THR . 49.1 mt -69.26 -36.15 71.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -64.11 -37.53 87.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 63.5 m -60.51 -46.26 90.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 108.293 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 193' ' ' PHE . . . . . 0.497 ' CZ ' ' HB2' ' A' ' 168' ' ' ALA . 12.6 m-30 -53.81 -38.3 64.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -98.32 9.75 42.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -87.62 -45.05 10.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.91 71.04 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 197' ' ' SER . . . . . 0.464 ' HB3' ' CG ' ' A' ' 158' ' ' GLN . 1.6 m -138.41 167.16 22.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 198' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 197' ' ' SER . 2.1 mp0 -38.34 154.46 0.13 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -37.23 2.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.46 1.768 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -44.36 88.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 18.3 mm -72.94 -37.38 53.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -70.34 -43.84 69.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.33 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . 0.445 ' O ' ' NE2' ' A' ' 203' ' ' GLN . 33.0 tp60 -62.04 -32.01 72.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -48.98 63.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.41 ' O ' ' CB ' ' A' ' 208' ' ' ALA . 0.4 OUTLIER -64.16 -39.86 87.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -63.15 -33.84 76.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -89.23 2.43 54.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 208' ' ' ALA . . . . . 0.42 ' HA ' ' CE2' ' A' ' 221' ' ' TYR . . . -61.98 155.08 65.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 154.65 42.79 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.499 1.789 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.91 14.18 9.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.982 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 9.0 m -96.82 -11.64 24.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.473 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 212' ' ' LEU . . . . . 0.492 ' O ' ' CG2' ' A' ' 213' ' ' THR . 0.4 OUTLIER -142.05 142.31 32.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 213' ' ' THR . . . . . 0.508 ' C ' ' CD1' ' A' ' 190' ' ' ILE . 2.0 p -159.87 43.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.396 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 214' ' ' THR . . . . . 0.404 ' OG1' ' CD ' ' A' ' 217' ' ' GLU . 34.1 p -116.52 157.92 44.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 55.39 3.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.436 1.756 . . . . 0.0 111.014 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -159.67 -55.03 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.51 1.131 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 217' ' ' GLU . . . . . 0.404 ' CD ' ' OG1' ' A' ' 214' ' ' THR . 1.0 OUTLIER -74.27 -34.02 63.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 0.771 . . . . 0.0 110.307 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 218' ' ' ILE . . . . . 0.4 ' N ' HD13 ' A' ' 218' ' ' ILE . 1.3 mp -62.09 -42.46 95.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 219' ' ' ILE . . . . . 0.419 HG21 ' CG2' ' A' ' 165' ' ' VAL . 3.4 mt -73.5 -47.33 45.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -55.77 -39.67 71.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.42 ' CE2' ' HA ' ' A' ' 208' ' ' ALA . 0.9 OUTLIER -67.4 -46.14 74.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 111.011 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 6.1 t -60.59 -47.56 92.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.453 ' CD1' HG21 ' A' ' 165' ' ' VAL . 43.3 mt -65.39 -36.59 84.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.43 -37.46 87.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.48 -32.22 48.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.253 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.401 ' O ' ' N ' ' A' ' 20' ' ' THR . 18.3 Cg_endo -74.93 -26.24 11.25 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -65.03 -50.92 64.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.463 ' O ' ' CG ' ' A' ' 21' ' ' ARG . 30.0 mt -60.36 -42.5 95.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.8 mt -69.33 -36.47 72.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 16' ' ' PRO . 1.7 m -61.97 -50.42 72.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.432 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 18' ' ' LEU . 2.9 ptp180 -62.3 -38.55 89.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.247 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.453 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 6.0 mt -67.03 -38.41 85.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.45 ' CB ' HG13 ' A' ' 59' ' ' VAL . . . -68.69 -32.96 73.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.2 -47.31 85.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.492 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.9 m -59.21 -37.95 78.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.425 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.468 ' CG1' HG23 ' A' ' 36' ' ' THR . 43.4 t -62.27 -45.73 98.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.471 ' HA ' ' CD2' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -66.48 -48.43 69.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.33 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.8 p -66.35 -31.04 71.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.397 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 25' ' ' THR . 18.9 mmtm -83.35 -14.39 52.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.72 128.32 6.13 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 27' ' ' ARG . 2.4 mm? -67.29 -30.16 69.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.99 2.2 54.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.65 161.2 48.67 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.0 110.003 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -33.55 4.55 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.449 HG22 ' CB ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -52.12 -25.37 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.538 ' CG2' ' CZ ' ' A' ' 140' ' ' PHE . 19.9 m -62.84 -49.17 75.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.531 ' HE1' ' CD1' ' A' ' 140' ' ' PHE . 0.0 OUTLIER -64.26 -38.45 91.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.34 -50.16 64.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -47.3 86.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 36' ' ' THR . 76.4 t -59.91 -43.98 93.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.47 ' CG ' HD22 ' A' ' 137' ' ' LEU . 20.0 mt-10 -68.73 -24.64 64.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.49 -54.98 36.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.568 ' CD1' ' CD2' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -72.21 -48.42 43.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.495 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 23.2 mtt -67.0 -10.6 51.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 41' ' ' GLU . 16.0 t -37.72 -31.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.996 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' MET . 3.5 p -109.78 161.54 23.82 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.02 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 149.19 36.46 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.476 HD13 ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -146.51 -172.35 3.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -86.35 163.97 40.07 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -35.79 2.89 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.53 1.805 . . . . 0.0 110.976 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.74 -45.71 74.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.606 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.45 -33.98 76.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.476 ' CG2' HD13 ' A' ' 48' ' ' LEU . 4.3 t -54.87 -47.06 75.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.467 HG21 ' CE ' ' A' ' 70' ' ' MET . 33.0 p -66.75 -33.19 75.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.399 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -66.33 -44.66 82.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.568 ' CD2' ' CD1' ' A' ' 43' ' ' LEU . 2.4 tp -67.58 -51.66 47.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.504 ' HG3' ' CE2' ' A' ' 69' ' ' TRP . 11.3 mmt -57.93 -33.53 68.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.572 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 4.6 ttt180 -63.55 -37.33 86.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.348 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.45 HG13 ' CB ' ' A' ' 23' ' ' ALA . 46.7 t -68.12 -44.64 84.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.6 mt -71.03 -43.23 76.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -118.02 121.83 41.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.478 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -53.54 -168.44 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.419 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.99 -19.28 18.02 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.534 1.807 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.558 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -71.69 -59.05 3.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.558 ' HD3' ' CB ' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.91 4.48 4.65 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.488 1.783 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 58' ' ' ARG . 0.8 OUTLIER -77.2 -50.05 13.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.967 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.98 -30.68 68.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.47 ' HB3' ' CG2' ' A' ' 143' ' ' VAL . 8.3 mp -71.86 -42.15 67.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.516 ' CZ3' ' CE3' ' A' ' 73' ' ' TRP . 62.5 t90 -70.89 -40.6 72.12 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.467 ' CE ' HG21 ' A' ' 54' ' ' THR . 6.5 mmt -62.95 -38.72 92.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -70.95 -42.09 70.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.56 -30.08 64.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.516 ' CE3' ' CZ3' ' A' ' 69' ' ' TRP . 17.0 t90 -72.05 -40.59 68.24 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.71 -45.61 93.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 25.0 t -68.16 -45.29 83.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -55.65 -45.55 77.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.473 ' CD2' HD13 ' A' ' 106' ' ' LEU . 3.4 mt -58.71 -50.38 74.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.424 ' N ' HD12 ' A' ' 103' ' ' LEU . 48.4 mt-30 -59.11 -29.98 67.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.4 ' O ' ' CB ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -63.47 -35.21 79.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.389 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.6 t -70.73 -38.26 72.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.447 ' CD1' HG22 ' A' ' 101' ' ' THR . 1.4 mp -70.0 -50.42 48.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.27 94.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 79' ' ' THR . . . -57.95 -45.58 86.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.88 -35.12 79.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.5 m -68.32 -34.63 76.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.382 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -74.67 -43.21 56.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 110.291 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.12 120.86 13.06 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.86 3.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -128.52 3.87 5.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.28 139.72 79.05 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.558 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -24.36 12.93 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.24 -6.54 55.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 100' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.412 ' N ' ' OD1' ' A' ' 93' ' ' ASN . 50.4 mtt180 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.466 ' C ' ' ND2' ' A' ' 102' ' ' ASN . 4.5 t -97.18 170.53 9.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.562 HD21 ' N ' ' A' ' 102' ' ' ASN . 0.5 OUTLIER -140.44 165.77 26.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 77' ' ' LEU . 2.1 tp -63.87 -30.09 71.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -63.29 -45.44 91.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.236 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.25 -45.08 92.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.473 HD13 ' CD2' ' A' ' 77' ' ' LEU . 10.0 mt -74.04 -15.8 61.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.74 -51.94 17.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 107.49 18.74 9.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.13 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.486 ' O ' ' CG2' ' A' ' 114' ' ' VAL . 12.0 tp -98.12 4.85 49.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.446 ' HB3' ' CE ' ' A' ' 113' ' ' MET . . . -58.85 141.68 52.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.3 130.56 10.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 91.33 -15.48 61.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.462 ' CG ' HD12 ' A' ' 123' ' ' LEU . 12.0 mtm -102.87 -17.64 15.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 109' ' ' LEU . 2.4 t -76.74 122.73 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 87.63 3.16 81.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -138.59 102.21 7.93 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -61.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -54.41 -50.68 67.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.16 -37.77 92.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -44.41 95.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.47 -34.26 77.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.26 -22.61 57.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.462 HD12 ' CG ' ' A' ' 113' ' ' MET . 2.2 tt -79.07 -37.19 39.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.72 111.21 18.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.5 158.33 0.13 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 109.05 2.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 156.83 -40.11 0.56 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -32.94 74.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.753 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.9 mt -59.6 -43.56 93.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.0 t -62.98 -39.76 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.237 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.5 -38.83 72.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 17.3 mt -68.74 -38.75 79.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.48 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 1.3 m -66.07 -48.9 69.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.379 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.04 96.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.4 m -67.8 -35.12 78.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.994 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.17 95.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.495 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -67.03 -39.66 87.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -34.44 77.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.254 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.442 ' HB3' ' CD1' ' A' ' 69' ' ' TRP . . . -70.95 -32.15 68.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.538 ' CZ ' ' CG2' ' A' ' 36' ' ' THR . 2.7 t80 -61.52 -64.23 1.01 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -53.97 -27.55 31.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 110.35 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -67.55 -30.81 70.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 20.2 t -84.94 -42.33 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.25 -41.5 88.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.285 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' PRO . . . . . 0.585 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' TRP . . . . . 0.585 ' CE3' ' HD2' ' A' ' 152' ' ' PRO . 40.4 p90 -56.09 -21.41 22.0 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.05 -32.74 74.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -85.68 -21.99 28.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.569 HG22 ' CE1' ' A' ' 167' ' ' PHE . 21.6 mt -76.27 120.59 26.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.598 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 43.9 m -127.63 135.3 50.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.429 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . 0.565 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 6.1 tm0? -75.87 129.87 37.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -107.01 157.91 15.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.79 18.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.1 -15.87 37.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.004 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -105.42 135.44 46.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.45 149.44 20.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . 0.574 ' CE2' HG22 ' A' ' 219' ' ' ILE . 0.3 OUTLIER -63.35 -52.37 62.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.478 ' CG2' HG23 ' A' ' 219' ' ' ILE . 1.8 p -63.56 -37.26 79.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -58.26 -47.96 81.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.598 ' CE1' ' C ' ' A' ' 157' ' ' THR . 90.5 t80 -67.31 -31.45 71.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 111.046 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 193' ' ' PHE . . . -63.44 -39.03 93.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -64.79 -46.67 81.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -59.78 -37.16 78.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.229 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 0.556 HD13 ' CE2' ' A' ' 167' ' ' PHE . 0.3 OUTLIER -72.06 -49.48 36.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.225 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . 0.415 ' CD1' ' O ' ' A' ' 168' ' ' ALA . 10.7 mt -57.83 -35.43 51.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -38.49 82.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.69 -51.69 39.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . 0.421 HG23 ' CG1' ' A' ' 189' ' ' ILE . 58.1 t -59.49 -48.14 88.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -51.94 -38.7 57.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.277 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -102.38 34.74 5.47 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 59.3 p -124.36 166.5 15.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.971 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.44 85.98 6.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.58 HD13 ' CZ3' ' A' ' 153' ' ' TRP . 21.1 mt -125.52 154.19 72.62 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 163.47 35.22 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 65.65 6.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 37.4 t 179.49 -38.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.43 ' C ' ' HD2' ' A' ' 187' ' ' PRO . . . -79.59 -10.44 59.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -84.39 68.11 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.506 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 172.67 -56.45 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 187' ' ' PRO . . . . . 0.506 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -75.03 -27.73 9.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 41.4 t -66.28 -35.96 76.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 189' ' ' ILE . . . . . 0.457 ' CG2' ' HB3' ' A' ' 215' ' ' PRO . 54.5 mt -68.71 -48.42 71.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 190' ' ' ILE . . . . . 0.511 ' CD1' ' C ' ' A' ' 213' ' ' THR . 45.2 mt -64.4 -36.23 76.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -62.56 -37.71 87.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 9.6 m -59.58 -47.34 85.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 108.278 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 193' ' ' PHE . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 168' ' ' ALA . 11.7 m-30 -53.74 -36.29 62.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 194' ' ' ARG . . . . . 0.416 ' O ' ' NE2' ' A' ' 202' ' ' GLN . 9.1 ptp180 -101.37 12.08 38.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -92.84 -36.15 13.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.94 73.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 197' ' ' SER . . . . . . . . . . . . . 3.3 m -139.4 169.38 17.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 198' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 202' ' ' GLN . 2.3 mp0 -39.59 159.21 0.12 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -39.03 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.782 . . . . 0.0 111.038 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -50.27 68.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 17.6 mm -68.16 -37.05 77.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 202' ' ' GLN . . . . . 0.485 ' CB ' ' O ' ' A' ' 198' ' ' GLN . 2.1 tp60 -68.92 -45.09 71.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -64.33 -38.63 91.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . 0.463 HD22 ' CD ' ' A' ' 225' ' ' ARG . 0.5 OUTLIER -61.81 -49.3 76.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 1.6 mt -64.83 -39.23 84.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.359 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -33.82 76.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -88.81 0.32 56.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 208' ' ' ALA . . . . . 0.407 ' HA ' ' CE2' ' A' ' 221' ' ' TYR . . . -61.42 156.41 52.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 153.3 41.79 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.781 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.3 18.91 4.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.021 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 5.4 m -99.94 -4.06 30.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 212' ' ' LEU . . . . . 0.487 ' O ' ' CG2' ' A' ' 213' ' ' THR . 0.2 OUTLIER -144.11 148.71 35.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 213' ' ' THR . . . . . 0.511 ' C ' ' CD1' ' A' ' 190' ' ' ILE . 1.3 p -160.75 45.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 214' ' ' THR . . . . . 0.559 ' CG2' ' HD2' ' A' ' 215' ' ' PRO . 1.4 m -122.46 149.86 56.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.356 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 215' ' ' PRO . . . . . 0.559 ' HD2' ' CG2' ' A' ' 214' ' ' THR . 18.3 Cg_endo -75.01 49.45 2.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.542 1.811 . . . . 0.0 110.982 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -146.86 -59.37 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -75.24 -34.29 61.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 0.793 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 218' ' ' ILE . . . . . 0.466 ' CD1' HD13 ' A' ' 212' ' ' LEU . 1.3 mp -57.62 -48.8 82.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 219' ' ' ILE . . . . . 0.574 HG22 ' CE2' ' A' ' 164' ' ' PHE . 4.7 mt -67.05 -41.9 87.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -58.82 -38.08 77.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.407 ' CE2' ' HA ' ' A' ' 208' ' ' ALA . 2.1 t80 -69.26 -48.62 61.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . 0.41 HG13 ' CE2' ' A' ' 164' ' ' PHE . 24.9 t -60.46 -43.97 95.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 32.5 mt -66.32 -39.57 89.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.93 -42.61 99.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 225' ' ' ARG . . . . . 0.463 ' CD ' HD22 ' A' ' 204' ' ' LEU . 0.9 OUTLIER -73.4 -28.9 62.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.16 11.23 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.45 1.763 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -50.54 72.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.9 mt -63.56 -47.01 83.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.431 ' CG2' HD12 ' A' ' 56' ' ' LEU . 13.6 mt -59.76 -37.09 69.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.4 m -60.78 -38.13 84.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.348 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -49.02 75.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.512 ' CD2' ' OE1' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -66.53 -40.25 89.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.478 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -64.22 -32.43 74.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.3 -44.78 95.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.493 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -62.67 -37.47 86.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.471 ' CG1' HG21 ' A' ' 36' ' ' THR . 1.4 t -58.73 -49.17 83.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -48.82 80.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.5 p -68.55 -23.74 64.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 25' ' ' THR . 6.0 mmtm -90.96 -14.07 32.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 96.08 125.39 4.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.432 1.082 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.579 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -66.73 -29.5 69.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 0.738 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.72 2.49 53.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.58 166.15 26.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' MET . 18.3 Cg_endo -75.0 -46.71 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.437 HG21 ' CD ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -41.87 -28.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.501 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 21.5 m -67.02 -49.31 65.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.421 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -64.41 -37.56 87.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.36 -51.95 26.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.512 ' OE1' ' CD2' ' A' ' 22' ' ' LEU . 9.3 mm-40 -59.55 -46.75 87.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 36' ' ' THR . 55.4 t -58.26 -39.9 75.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.463 ' CG ' HD23 ' A' ' 137' ' ' LEU . 35.2 mt-10 -71.98 -24.36 61.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.86 -54.87 39.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.29 -50.93 34.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.481 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 6.6 mtt -65.67 -10.56 37.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' GLU . 22.8 t -35.22 -39.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.79 162.05 22.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.023 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 147.55 33.86 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.48 HD11 ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -145.65 -178.19 5.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.465 ' CD1' ' OE1' ' A' ' 120' ' ' GLN . 0.3 OUTLIER -85.17 162.79 47.98 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -27.29 10.07 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.4 ' O ' ' OG1' ' A' ' 54' ' ' THR . 26.9 m80 -67.42 -51.45 51.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.583 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.461 ' OD2' ' N ' ' A' ' 49' ' ' LEU . 3.3 p30 -63.69 -31.96 73.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.348 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.48 ' CG2' HD11 ' A' ' 48' ' ' LEU . 1.3 t -54.04 -47.05 66.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 51' ' ' HIS . 43.5 p -66.58 -40.84 89.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.376 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -60.3 -40.77 91.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.431 HD12 ' CG2' ' A' ' 19' ' ' ILE . 15.1 tp -71.85 -49.74 35.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.563 ' HG2' ' CD1' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -57.65 -30.06 65.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 111.032 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 61' ' ' LEU . 3.9 ttt180 -72.28 -36.45 68.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.361 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 t -69.81 -47.93 67.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.478 HG12 ' CB ' ' A' ' 23' ' ' ALA . 29.9 mt -75.77 -43.78 39.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 57' ' ' MET . 0.2 OUTLIER -101.76 122.67 44.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.472 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -43.37 166.32 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.429 ' O ' ' HB3' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.99 -20.86 16.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.449 1.763 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.543 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -72.88 -58.78 2.51 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.543 ' HD3' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.0 -0.85 10.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.568 ' CE1' ' HE1' ' A' ' 70' ' ' MET . 25.3 t80 -63.53 -40.02 95.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.39 -30.0 70.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.2 mp -66.3 -48.6 69.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.734 ' CH2' ' CE3' ' A' ' 73' ' ' TRP . 22.5 t90 -59.82 -35.47 74.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.568 ' HE1' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -63.07 -44.96 94.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -62.94 -45.34 92.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.59 -37.39 79.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.734 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 15.6 t90 -61.69 -47.52 84.94 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.451 ' O ' ' NE2' ' A' ' 78' ' ' GLN . . . -53.76 -47.36 65.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.8 t -65.68 -45.54 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.76 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 76' ' ' GLN . 1.5 mp0 -54.32 -43.72 71.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.401 ' O ' HG12 ' A' ' 81' ' ' ILE . 3.0 mt -60.1 -47.09 87.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 74' ' ' GLY . 4.3 mt-30 -60.25 -36.11 77.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.17 -35.43 71.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.399 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 t -70.56 -34.33 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.461 ' HA ' ' CG2' ' A' ' 101' ' ' THR . 19.8 mm -67.0 -49.7 71.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.23 85.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.2 -32.65 73.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.528 ' HA ' ' CD2' ' A' ' 90' ' ' HIS . . . -76.14 -50.16 15.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.58 -28.76 68.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -73.95 -43.26 58.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -120.29 116.82 32.14 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.87 3.76 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -152.37 26.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.332 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.528 ' CD2' ' HA ' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -89.7 140.78 28.08 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.612 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -75.01 -27.6 9.85 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.467 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -75.28 -12.18 60.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.362 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 100' ' ' ARG . 4.1 ttp-105 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.461 ' CG2' ' HA ' ' A' ' 81' ' ' ILE . 10.1 t -71.07 151.92 44.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -133.1 143.0 49.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.6 tp -64.2 -29.58 70.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -38.92 91.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -44.43 96.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.6 mt -73.42 -30.89 63.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.87 -29.69 65.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 96.34 30.18 7.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.94 4.79 35.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.78 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.09 162.75 4.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.01 125.34 26.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.9 -6.09 83.79 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.566 1.166 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.456 ' CG ' HD13 ' A' ' 123' ' ' LEU . 7.5 mtt -103.02 -22.8 13.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -73.41 123.49 28.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 90.29 0.15 77.27 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 16.0 m120 -134.88 103.97 10.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -64.46 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -54.34 -46.44 72.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.01 -41.05 99.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.543 1.152 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.471 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 1.5 tm0? -61.96 -44.02 97.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.95 -37.54 86.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.67 -15.16 61.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.456 HD13 ' CG ' ' A' ' 113' ' ' MET . 0.3 OUTLIER -86.31 -32.13 21.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.1 115.78 27.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.55 158.01 0.17 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 108.76 2.79 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.519 1.799 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 151.76 -35.89 0.85 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.467 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 2.0 mt-10 -63.32 -41.38 98.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 0.761 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.86 -40.2 83.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.47 -40.0 82.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.32 -38.08 76.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 11.2 mt -68.91 -40.46 81.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 1.7 m -64.8 -47.0 79.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.409 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.59 -41.59 92.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.5 m -64.98 -34.31 78.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.83 -42.68 69.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.246 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.481 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -61.7 -38.36 87.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -71.18 -34.26 70.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.436 ' HB2' ' CD1' ' A' ' 69' ' ' TRP . . . -68.05 -33.55 74.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.579 ' CZ ' HD21 ' A' ' 31' ' ' LEU . 6.2 t80 -66.02 -60.72 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -52.81 -24.92 9.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -69.14 -41.71 76.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 23.8 t -74.03 -42.99 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -58.05 -36.7 73.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' PRO . . . . . 0.557 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' TRP . . . . . 0.557 ' CE3' ' HD2' ' A' ' 152' ' ' PRO . 44.9 p90 -51.71 -25.7 7.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 108.0 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.42 -33.59 75.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -82.19 -19.46 39.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.563 HG23 ' CE1' ' A' ' 167' ' ' PHE . 9.1 mt -79.81 120.99 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.596 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 6.6 m -125.33 123.35 39.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.381 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . 0.646 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 9.5 tp60 -67.6 129.31 39.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -123.72 166.92 16.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -19.67 17.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.793 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 44.6 m -71.96 -34.87 69.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -101.7 135.39 43.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.45 166.21 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 110.06 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . 0.407 ' CE2' HG21 ' A' ' 219' ' ' ILE . 3.3 t80 -68.23 -50.04 56.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.471 HG21 ' CG2' ' A' ' 219' ' ' ILE . 25.4 t -68.18 -35.79 72.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -48.39 77.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.646 ' CZ ' ' N ' ' A' ' 158' ' ' GLN . 67.4 t80 -72.14 -30.89 65.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -65.28 -37.14 86.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -67.6 -46.53 72.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -63.01 -37.32 86.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 0.521 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.4 OUTLIER -71.23 -50.16 35.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . 0.455 ' CG1' HG22 ' A' ' 189' ' ' ILE . 47.8 mt -57.55 -40.08 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -36.03 82.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . 0.441 ' CB ' HD13 ' A' ' 156' ' ' ILE . . . -68.87 -47.84 64.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . . . . . . . . . 44.3 t -62.07 -46.2 97.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -59.79 -47.3 86.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -69.65 -27.84 72.88 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 55.4 p -70.4 166.11 21.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.958 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -100.07 70.77 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.537 HD11 ' CH2' ' A' ' 153' ' ' TRP . 12.6 mt -97.74 160.01 29.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 164.46 33.32 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.3 Cg_endo -75.06 77.13 3.22 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 183' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.4 OUTLIER 164.73 -30.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.029 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -83.07 -11.7 57.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -86.53 70.36 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.5 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 171.76 -56.47 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 187' ' ' PRO . . . . . 0.5 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.2 Cg_endo -74.96 -31.49 6.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.528 1.804 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 63.9 t -64.14 -36.97 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 189' ' ' ILE . . . . . 0.455 HG22 ' CG1' ' A' ' 172' ' ' ILE . 25.8 mt -67.95 -47.61 78.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 190' ' ' ILE . . . . . 0.501 HD11 ' CA ' ' A' ' 214' ' ' THR . 8.8 mt -69.07 -35.65 69.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.63 -40.63 83.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.06 -47.84 81.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 108.296 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 193' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -53.74 -40.04 65.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 194' ' ' ARG . . . . . 0.454 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 3.8 ptm180 -93.28 7.66 43.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -87.01 -41.63 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 196' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 197' ' ' SER . 7.6 tttp -145.52 -89.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 197' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 196' ' ' LYS . 1.8 m 38.77 -158.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -84.16 168.81 19.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -45.44 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.42 -50.25 74.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 26.8 mm -64.58 -41.19 91.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 202' ' ' GLN . . . . . 0.419 ' NE2' ' O ' ' A' ' 194' ' ' ARG . 26.2 tp60 -63.72 -45.06 91.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -65.84 -32.71 74.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.249 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . 0.473 HD22 ' CB ' ' A' ' 225' ' ' ARG . 0.4 OUTLIER -70.49 -49.31 49.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.454 ' CG2' ' HB3' ' A' ' 194' ' ' ARG . 1.4 mt -64.09 -45.87 95.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -33.97 73.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -90.84 5.02 50.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 208' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 205' ' ' ILE . . . -63.81 158.56 60.32 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 153.68 41.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.21 20.23 4.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 42.9 m -101.84 -9.46 20.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.442 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 212' ' ' LEU . . . . . 0.51 ' O ' ' CG2' ' A' ' 213' ' ' THR . 0.3 OUTLIER -142.4 143.35 32.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 213' ' ' THR . . . . . 0.51 ' CG2' ' O ' ' A' ' 212' ' ' LEU . 1.4 p -161.27 51.11 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 214' ' ' THR . . . . . 0.501 ' CA ' HD11 ' A' ' 190' ' ' ILE . 0.2 OUTLIER -126.87 158.52 68.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.428 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 61.38 5.65 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -165.07 -61.0 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -74.18 -30.11 62.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 218' ' ' ILE . . . . . 0.461 HD13 ' CD1' ' A' ' 212' ' ' LEU . 0.4 OUTLIER -63.59 -42.55 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 219' ' ' ILE . . . . . 0.471 ' CG2' HG21 ' A' ' 165' ' ' VAL . 4.0 mt -76.18 -46.05 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.25 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -55.62 -45.02 77.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -60.41 -48.52 81.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 3.8 t -60.28 -50.36 80.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.463 HD13 ' CG2' ' A' ' 165' ' ' VAL . 94.7 mt -59.18 -36.3 75.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -49.0 71.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 225' ' ' ARG . . . . . 0.473 ' CB ' HD22 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -60.82 -37.69 82.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -29.8 7.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.797 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.411 ' CG ' ' N ' ' A' ' 18' ' ' LEU . 1.9 pttt -58.81 -50.19 74.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.411 ' N ' ' CG ' ' A' ' 17' ' ' LYS . 42.6 mt -68.91 -44.84 72.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.47 HG21 ' CD1' ' A' ' 56' ' ' LEU . 25.0 mt -58.37 -37.56 64.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.9 m -65.71 -41.08 92.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -66.42 -45.32 80.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.8 mt -65.58 -45.96 81.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.407 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -60.1 -39.13 85.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.71 -44.54 96.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -59.44 -37.3 77.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.483 HG13 ' CG2' ' A' ' 36' ' ' THR . 73.8 t -58.86 -44.48 90.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -48.37 73.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.3 p -67.39 -28.13 67.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.399 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 25' ' ' THR . 9.4 mmtm -89.38 -14.45 35.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 96.07 125.62 4.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.79 -41.15 83.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.74 2.34 53.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 m -92.21 161.57 32.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.507 ' O ' ' CG1' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.0 103.66 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.456 1.766 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.507 ' CG1' ' O ' ' A' ' 34' ' ' PRO . 0.2 OUTLIER 163.37 -27.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.55 ' CG2' ' CZ ' ' A' ' 140' ' ' PHE . 89.5 m -58.16 -48.92 78.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 29.7 mmt -64.13 -33.68 76.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.77 -52.26 26.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.72 -43.84 98.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.503 ' CG1' ' SD ' ' A' ' 44' ' ' MET . 70.4 t -64.53 -46.59 92.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.479 ' HG3' ' CD2' ' A' ' 137' ' ' LEU . 32.1 mt-10 -63.34 -24.8 68.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.76 -55.42 15.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.55 ' CD1' ' CD2' ' A' ' 56' ' ' LEU . 0.6 OUTLIER -70.37 -46.54 63.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.503 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 25.1 mtt -70.51 -10.04 58.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 44' ' ' MET . 4.4 m -34.28 -36.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.005 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' MET . 1.1 m -105.76 164.97 13.91 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.89 35.79 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.512 1.796 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.474 ' CD1' ' CG2' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -146.79 -179.63 6.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.426 ' N ' HD22 ' A' ' 49' ' ' LEU . 3.1 mt -82.66 161.48 58.65 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.407 ' O ' ' HB ' ' A' ' 53' ' ' VAL . 18.3 Cg_endo -74.95 -33.07 4.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.469 1.773 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -68.4 -44.3 75.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.593 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -33.06 74.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.564 HG11 ' CH2' ' A' ' 69' ' ' TRP . 2.7 t -54.69 -46.74 73.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.9 p -65.83 -35.1 79.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -67.68 -44.23 78.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.55 ' CD2' ' CD1' ' A' ' 43' ' ' LEU . 9.2 tp -67.43 -47.0 71.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.494 ' HG3' ' CE2' ' A' ' 69' ' ' TRP . 12.0 mmt -59.63 -45.09 93.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 61' ' ' LEU . 4.2 ttt180 -55.33 -36.08 65.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.2 t -68.65 -34.34 64.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.407 HG12 ' CB ' ' A' ' 23' ' ' ALA . 52.5 mt -80.98 -44.45 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.423 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -116.97 130.59 56.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.485 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -51.26 -173.52 0.02 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -19.87 17.39 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.451 1.764 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.566 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -69.59 -59.42 4.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.566 ' HD3' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.02 3.05 5.97 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.501 ' CZ ' ' HE1' ' A' ' 70' ' ' MET . 24.0 t80 -74.18 -45.42 48.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.25 -31.15 71.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.6 mp -67.57 -43.13 81.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.576 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 54.1 t90 -67.64 -35.64 79.28 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.501 ' HE1' ' CZ ' ' A' ' 66' ' ' TYR . 1.7 tpp -66.35 -36.22 82.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.78 -41.6 71.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.46 -37.15 65.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.576 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 16.4 t90 -60.08 -40.48 89.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 108.001 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.34 -40.79 98.15 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.439 1.087 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.5 t -67.97 -47.14 80.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -60.66 -45.26 94.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.265 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.465 ' CD2' HD12 ' A' ' 106' ' ' LEU . 2.4 mt -55.87 -43.87 77.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -61.7 -35.08 76.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.59 -35.72 80.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.3 t -71.16 -35.21 57.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.3 mm -69.81 -50.22 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.4 -37.53 87.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.73 -49.03 78.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.65 91.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.3 m -62.26 -28.99 70.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.422 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -75.08 -42.77 56.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.27 115.74 21.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 54.82 3.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.791 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -143.48 15.87 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.46 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -81.21 136.91 49.41 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.577 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -74.97 -21.73 15.62 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.768 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.442 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -64.64 -21.99 66.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 90' ' ' HIS . 10.7 p30 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.3 t -74.5 169.55 17.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -145.58 147.89 32.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.1 tp -63.57 -35.0 79.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.58 -45.45 86.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -56.8 -46.79 81.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.465 HD12 ' CD2' ' A' ' 77' ' ' LEU . 20.7 mt -69.88 -24.09 63.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -51.18 68.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.474 ' HA2' ' CE ' ' A' ' 113' ' ' MET . . . 105.51 24.26 7.17 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.093 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.453 ' CD1' HG13 ' A' ' 114' ' ' VAL . 24.4 tp -108.56 -3.42 18.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.467 ' HB1' ' CE ' ' A' ' 113' ' ' MET . . . -58.33 139.63 54.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.19 137.79 55.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.3 -18.03 58.11 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.474 ' CE ' ' HA2' ' A' ' 108' ' ' GLY . 8.3 mtp -100.99 -38.48 8.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 0.742 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.453 HG13 ' CD1' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -77.91 136.14 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 94.29 3.28 63.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -161.76 117.61 1.3 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.413 ' O ' ' CG ' ' A' ' 120' ' ' GLN . 18.4 Cg_endo -74.98 -42.48 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -75.56 -25.64 57.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -74.3 -40.27 41.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.494 ' O ' ' CD1' ' A' ' 124' ' ' LEU . 10.4 pt20 -65.93 -40.36 91.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 0.795 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.438 ' N ' ' HG3' ' A' ' 120' ' ' GLN . . . -66.45 -38.06 86.53 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.62 -19.79 54.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.403 ' CD2' ' SD ' ' A' ' 113' ' ' MET . 5.3 tt -83.72 -42.57 16.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 120' ' ' GLN . 0.4 OUTLIER -79.68 104.58 10.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.414 ' N ' ' HD2' ' A' ' 125' ' ' ARG . 0.2 OUTLIER -41.29 158.89 0.18 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 108.86 2.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.478 1.778 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 153.19 -48.91 0.52 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.442 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 17.6 mt-10 -60.48 -31.65 70.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 11.1 mt -57.8 -48.72 78.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 42.7 t -59.52 -39.35 79.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.25 -41.79 84.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 19.4 mt -68.95 -39.02 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.441 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 15.4 m -64.45 -45.02 89.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.412 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.5 98.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.1 t -69.02 -39.3 79.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.021 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -60.93 -41.95 97.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.499 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -63.09 -45.52 91.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.49 -30.76 71.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.537 ' HB1' ' CD1' ' A' ' 69' ' ' TRP . . . -67.74 -33.62 75.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.55 ' CZ ' ' CG2' ' A' ' 36' ' ' THR . 1.8 t80 -66.75 -46.4 75.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -61.43 -26.86 68.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -69.97 -41.96 73.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 41.7 t -76.14 -42.28 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -57.08 -42.29 80.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.251 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 155' ' ' ASP . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' TRP . . . . . 0.572 ' CZ3' HD12 ' A' ' 180' ' ' LEU . 1.4 p90 -51.4 -35.76 40.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 108.013 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.16 -32.87 73.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 152' ' ' PRO . 3.4 t0 -79.9 -22.06 43.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.484 HG23 ' CE1' ' A' ' 167' ' ' PHE . 49.0 mt -78.78 120.81 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.558 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 24.6 m -129.12 137.13 51.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.384 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . 0.648 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 0.1 OUTLIER -71.73 129.81 39.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -126.07 164.44 19.64 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -28.06 9.53 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 9.1 t -79.39 -11.82 59.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.038 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -114.3 135.05 54.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 167' ' ' PHE . 0.4 OUTLIER -58.13 139.2 55.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.973 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . 0.523 ' CE2' HG23 ' A' ' 219' ' ' ILE . 18.8 t80 -65.1 -52.16 57.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.472 HG23 ' CG2' ' A' ' 219' ' ' ILE . 0.3 OUTLIER -65.35 -45.52 93.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.435 ' N ' ' CG1' ' A' ' 165' ' ' VAL . 5.4 t70 -60.35 -44.45 95.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.648 ' CZ ' ' N ' ' A' ' 158' ' ' GLN . 47.5 t80 -64.96 -41.77 95.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -56.89 -37.87 72.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -63.34 -43.54 97.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -63.22 -37.55 87.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 0.54 HD12 ' CZ ' ' A' ' 167' ' ' PHE . 0.5 OUTLIER -70.82 -45.14 65.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . 0.436 ' CG1' HG23 ' A' ' 189' ' ' ILE . 13.6 mt -61.68 -41.98 92.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.45 -35.95 82.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . 0.472 ' CB ' HD13 ' A' ' 156' ' ' ILE . . . -68.49 -51.78 39.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . . . . . . . . . 47.3 t -58.84 -47.62 88.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -53.06 -39.79 63.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -98.63 30.13 10.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 31.7 p -119.13 165.88 13.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 110.017 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -88.44 79.64 7.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.572 HD12 ' CZ3' ' A' ' 153' ' ' TRP . 18.2 mt -121.92 152.64 59.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 164.56 33.17 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.4 Cg_endo -74.96 79.42 2.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 183' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.4 OUTLIER 161.19 -27.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.018 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -81.71 -11.77 58.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -85.02 70.35 10.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.515 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 175.1 -57.05 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 187' ' ' PRO . . . . . 0.515 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.2 Cg_endo -75.0 -28.16 9.4 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.477 1.777 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 74.3 t -67.45 -45.03 86.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 189' ' ' ILE . . . . . 0.544 HG21 ' CZ ' ' A' ' 193' ' ' PHE . 51.9 mt -63.16 -47.84 90.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 190' ' ' ILE . . . . . 0.509 ' HA ' ' CD2' ' A' ' 193' ' ' PHE . 26.2 mt -66.84 -36.62 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 191' ' ' ASP . . . . . 0.4 ' C ' ' OD1' ' A' ' 191' ' ' ASP . 16.0 t0 -62.67 -41.1 98.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 3.7 m -56.4 -47.23 79.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 108.294 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 193' ' ' PHE . . . . . 0.544 ' CZ ' HG21 ' A' ' 189' ' ' ILE . 10.7 m-30 -53.53 -36.62 61.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -102.81 16.58 26.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 12.7 tm0? -97.96 -34.46 10.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 196' ' ' LYS . . . . . 0.495 ' HG2' ' CG2' ' A' ' 157' ' ' THR . 1.8 ttpm? -168.54 73.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 197' ' ' SER . . . . . 0.419 ' HB2' ' NE2' ' A' ' 158' ' ' GLN . 7.2 p -138.88 165.66 26.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -43.87 167.6 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -41.08 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.423 1.749 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -63.86 -43.06 97.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 24.4 mm -67.99 -45.2 84.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 202' ' ' GLN . . . . . 0.42 ' O ' ' NE2' ' A' ' 202' ' ' GLN . 28.2 tp60 -64.38 -48.38 75.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -59.99 -27.92 67.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . 0.575 HD23 ' CE2' ' A' ' 221' ' ' TYR . 0.3 OUTLIER -70.19 -49.05 54.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.4 -44.67 97.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 206' ' ' ARG . . . . . 0.415 ' HG3' ' NE2' ' A' ' 202' ' ' GLN . 10.6 mtt-85 -64.05 -33.69 76.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -92.65 4.96 52.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 208' ' ' ALA . . . . . . . . . . . . . . . -69.95 159.2 85.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 154.81 42.79 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.5 18.33 8.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 1.5 m -98.56 -14.95 19.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.381 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 212' ' ' LEU . . . . . 0.479 ' O ' ' CG2' ' A' ' 213' ' ' THR . 0.3 OUTLIER -135.86 141.36 44.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 213' ' ' THR . . . . . 0.479 ' CG2' ' O ' ' A' ' 212' ' ' LEU . 3.8 p -158.42 45.06 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.387 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 214' ' ' THR . . . . . 0.426 ' N ' HD13 ' A' ' 190' ' ' ILE . 22.3 p -121.06 158.59 52.26 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.442 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 55.37 3.94 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -161.72 -51.95 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -74.67 -33.96 62.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 218' ' ' ILE . . . . . 0.451 ' CD1' HD11 ' A' ' 212' ' ' LEU . 5.2 mm -64.29 -47.91 87.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 219' ' ' ILE . . . . . 0.523 HG23 ' CE2' ' A' ' 164' ' ' PHE . 4.4 mt -67.89 -46.1 82.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -39.39 79.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.575 ' CE2' HD23 ' A' ' 204' ' ' LEU . 2.8 t80 -68.33 -46.84 69.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 9.3 t -60.78 -46.61 95.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.462 HD13 ' CG2' ' A' ' 165' ' ' VAL . 16.0 mt -59.49 -36.33 75.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.21 -45.94 68.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 225' ' ' ARG . . . . . 0.412 ' CB ' HD22 ' A' ' 204' ' ' LEU . 1.7 tpm_? -61.29 -43.92 98.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -24.13 13.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.524 1.802 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.83 -50.52 68.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.62 -45.38 90.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.461 HG21 ' CD1' ' A' ' 56' ' ' LEU . 71.5 mt -59.81 -37.32 71.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.6 m -57.89 -38.09 75.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.413 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -48.71 75.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.469 HD23 ' CG ' ' A' ' 39' ' ' GLU . 2.8 tt -66.9 -37.54 84.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.438 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -66.49 -34.23 77.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -61.87 -38.27 87.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.479 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.5 m -65.98 -37.11 85.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.47 HG12 ' CG2' ' A' ' 36' ' ' THR . 3.4 t -60.49 -49.32 84.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -60.7 -48.82 80.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.5 p -65.11 -30.17 71.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.487 ' CB ' ' CG2' ' A' ' 35' ' ' ILE . 11.1 mmtt -83.22 -14.11 53.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.96 123.68 5.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.476 HD13 ' CE1' ' A' ' 140' ' ' PHE . 0.7 OUTLIER -67.15 -26.66 66.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.749 . . . . 0.0 109.261 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -93.38 2.19 56.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.4 m -85.87 157.47 57.42 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 110.027 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.41 20.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.487 ' CG2' ' CB ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -63.56 -24.06 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.521 HG21 ' CE2' ' A' ' 140' ' ' PHE . 87.7 m -61.98 -49.88 74.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.394 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 37.1 mmt -64.89 -35.09 80.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.92 -52.59 34.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.469 ' CG ' HD23 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -60.77 -47.85 84.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.412 ' CG1' ' SD ' ' A' ' 44' ' ' MET . 70.6 t -60.52 -49.33 84.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 45' ' ' SER . 28.6 mt-10 -58.7 -24.12 60.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.43 -54.74 24.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.411 ' CD2' ' HA ' ' A' ' 40' ' ' VAL . 0.8 OUTLIER -72.74 -40.77 65.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.526 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 25.7 mtt -76.09 -9.71 58.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' GLU . 3.5 m -34.62 -35.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 44' ' ' MET . 45.9 m -100.87 156.24 35.39 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.975 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 149.51 36.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.423 1.749 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.484 HD13 ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -145.27 -175.0 4.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.17 165.29 29.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -27.7 9.81 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.439 1.757 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.461 ' O ' ' OG1' ' A' ' 54' ' ' THR . 7.5 t-160 -67.27 -51.34 54.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.636 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 1.4 t70 -64.77 -31.65 72.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.484 ' CG2' HD13 ' A' ' 48' ' ' LEU . 3.0 t -54.61 -47.09 72.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 51' ' ' HIS . 72.6 p -67.94 -37.58 81.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.469 ' CG ' ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -63.7 -45.41 90.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.469 ' N ' ' CG ' ' A' ' 55' ' ' ASN . 2.7 tp -69.68 -51.4 34.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.567 ' HG3' ' CZ2' ' A' ' 69' ' ' TRP . 15.2 mmt -57.66 -29.52 64.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 4.3 ttt180 -69.67 -34.19 73.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 t -74.07 -48.07 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.438 HG12 ' CB ' ' A' ' 23' ' ' ALA . 5.6 mt -74.39 -45.49 46.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.59 ' CD2' ' CE1' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -90.21 131.86 35.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.468 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -57.21 173.83 2.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.504 ' O ' ' CB ' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -75.04 -47.46 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.513 ' N ' ' CD ' ' A' ' 65' ' ' PRO . . . -60.92 -51.88 76.25 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.03 2.66 6.4 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 58' ' ' ARG . 4.0 t80 -68.62 -48.63 63.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.94 -33.64 70.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.1 mt -62.23 -46.41 88.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.716 ' CZ3' ' CE3' ' A' ' 73' ' ' TRP . 65.8 t90 -58.56 -42.08 87.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 108.003 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 11.3 mmt -63.85 -33.85 76.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -71.04 -44.89 64.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.444 ' CB ' ' OE2' ' A' ' 142' ' ' GLU . . . -73.28 -30.73 63.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.716 ' CE3' ' CZ3' ' A' ' 69' ' ' TRP . 15.4 t90 -69.17 -49.35 57.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 107.967 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.77 -48.94 60.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 25.1 t -68.1 -43.48 85.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -55.13 -46.31 75.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.436 ' CD2' ' CD1' ' A' ' 106' ' ' LEU . 2.2 mt -56.86 -50.16 73.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -59.64 -33.62 71.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.484 ' O ' ' CB ' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -61.97 -35.73 79.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.456 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.0 t -71.91 -34.96 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.441 ' CG1' HD11 ' A' ' 103' ' ' LEU . 15.4 mm -71.18 -50.3 42.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.55 88.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 79' ' ' THR . . . -62.6 -27.26 69.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.08 -50.52 14.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 t -63.81 -32.08 73.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.369 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.8 ttt85 -74.68 -41.52 60.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.71 117.7 12.12 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 55.07 3.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.46 1.768 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -135.09 14.08 3.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.503 ' CB ' ' OD1' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -82.46 136.86 45.36 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.573 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.444 ' O ' ' NH1' ' A' ' 125' ' ' ARG . 18.2 Cg_endo -75.01 -21.8 15.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.769 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.92 -15.86 61.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.503 ' OD1' ' CB ' ' A' ' 90' ' ' HIS . 2.8 p-10 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.1 t -72.74 170.12 15.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -136.28 145.48 45.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.441 HD11 ' CG1' ' A' ' 81' ' ' ILE . 13.7 tp -58.45 -45.85 87.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.533 ' HA ' ' CG ' ' A' ' 107' ' ' LYS . 13.9 t0 -53.8 -37.65 63.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -35.39 60.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.436 ' CD1' ' CD2' ' A' ' 77' ' ' LEU . 62.6 mt -86.42 -23.91 25.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.533 ' CG ' ' HA ' ' A' ' 104' ' ' ASP . 61.7 mmtt -55.92 -48.82 75.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 100.69 13.33 35.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.421 ' O ' ' CG2' ' A' ' 114' ' ' VAL . 0.2 OUTLIER -97.98 0.78 47.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.306 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.46 ' HB2' ' CE ' ' A' ' 113' ' ' MET . . . -58.97 147.7 33.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -58.2 130.77 48.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 91.09 -15.16 61.65 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.46 ' CE ' ' HB2' ' A' ' 110' ' ' ALA . 35.9 mtp -102.89 -20.89 14.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 0.79 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.421 ' CG2' ' O ' ' A' ' 109' ' ' LEU . 2.3 t -77.29 126.29 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 82.31 3.22 90.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -138.05 101.19 8.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.76 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -65.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -43.55 70.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.36 -38.33 96.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -63.9 -44.51 92.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.759 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.38 -32.07 73.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.96 -24.76 55.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.428 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 2.8 tt -79.65 -42.22 25.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.407 ' O ' ' O ' ' A' ' 125' ' ' ARG . 1.2 mt -75.69 112.57 12.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.444 ' NH1' ' O ' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -38.43 157.67 0.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 108.82 2.8 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 147.18 -33.13 1.36 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.61 -39.63 91.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -39.08 84.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 41.8 t -60.15 -39.75 81.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.8 -39.08 83.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 4.2 mt -67.36 -39.03 81.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.436 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 25.1 m -67.79 -46.65 71.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.424 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.19 -48.25 80.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 9.4 p -64.04 -35.1 79.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.02 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.06 -42.85 99.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.526 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.3 OUTLIER -69.71 -42.18 74.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.83 -35.75 77.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.418 ' HB1' ' N ' ' A' ' 73' ' ' TRP . . . -72.99 -32.51 65.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.59 ' CE1' ' CD2' ' A' ' 61' ' ' LEU . 1.2 t80 -69.1 -63.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.962 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -25.07 33.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.444 ' OE2' ' CB ' ' A' ' 72' ' ' ALA . 32.0 tt0 -69.49 -42.24 75.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 37.8 t -73.19 -20.55 18.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -72.96 -41.59 64.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' PRO . . . . . 0.569 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 110.991 -0.427 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' TRP . . . . . 0.569 ' CE3' ' HG2' ' A' ' 152' ' ' PRO . 30.7 p90 -101.03 -18.73 16.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 108.004 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.74 -32.68 73.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -79.65 -20.17 47.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.557 HG21 ' CZ ' ' A' ' 167' ' ' PHE . 10.7 mt -83.58 120.83 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.597 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 35.9 p -130.65 130.63 44.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . 0.575 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 34.4 tp60 -71.51 129.84 39.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -116.2 159.64 13.78 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.516 1.135 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -21.13 16.16 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.782 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 53.3 m -83.88 -21.31 32.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -102.35 135.76 43.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.14 132.8 54.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.994 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . 0.559 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.9 OUTLIER -56.03 -51.73 66.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.461 ' CG2' HG22 ' A' ' 219' ' ' ILE . 0.6 OUTLIER -63.02 -44.22 99.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.417 ' N ' ' CG1' ' A' ' 165' ' ' VAL . 21.5 t0 -56.68 -47.94 78.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.597 ' CE1' ' C ' ' A' ' 157' ' ' THR . 61.2 t80 -67.33 -41.5 85.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 193' ' ' PHE . . . -55.5 -41.84 73.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -61.04 -46.53 90.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 7.0 mmm-85 -58.73 -37.57 76.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 0.565 HD11 ' CE2' ' A' ' 167' ' ' PHE . 0.7 OUTLIER -71.11 -45.69 63.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . 0.497 ' CG2' ' OE2' ' A' ' 176' ' ' GLU . 46.8 mt -60.01 -37.06 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.89 -39.11 83.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -67.58 -48.2 67.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . 0.435 HG21 ' CG1' ' A' ' 189' ' ' ILE . 53.9 t -61.72 -47.65 92.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.497 ' OE2' ' CG2' ' A' ' 172' ' ' ILE . 3.9 mt-10 -56.24 -33.92 65.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -99.2 29.92 10.89 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 175' ' ' VAL . 82.7 p -125.53 166.11 17.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 0.763 . . . . 0.0 110.018 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -94.41 89.38 5.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.527 HD12 ' CH2' ' A' ' 153' ' ' TRP . 12.3 mt -123.92 156.94 64.88 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . 0.424 ' CD ' HD22 ' A' ' 180' ' ' LEU . 18.3 Cg_endo -75.01 165.54 31.09 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.523 1.801 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' PRO . . . . . 0.434 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.2 Cg_endo -75.01 77.04 3.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 183' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 1.0 OUTLIER 164.38 -31.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -79.7 -11.85 59.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -87.47 67.7 9.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.492 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 172.18 -56.29 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 187' ' ' PRO . . . . . 0.492 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.2 Cg_endo -75.02 -26.91 10.43 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 55.7 t -68.1 -41.94 84.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 189' ' ' ILE . . . . . 0.463 ' CG2' ' CZ ' ' A' ' 193' ' ' PHE . 19.3 mt -68.53 -47.67 75.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 190' ' ' ILE . . . . . 0.424 ' CD1' ' C ' ' A' ' 213' ' ' THR . 81.7 mt -66.61 -37.68 80.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 191' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 187' ' ' PRO . 8.3 t70 -67.79 -40.45 83.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.366 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.41 -42.59 78.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 108.262 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 193' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 168' ' ' ALA . 10.8 m-30 -58.46 -50.43 73.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -86.26 13.6 7.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . 0.409 ' O ' ' NE2' ' A' ' 195' ' ' GLN . 1.1 tm0? -119.81 -4.73 10.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 196' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 197' ' ' SER . 0.0 OUTLIER -146.56 -59.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 197' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 193' ' ' PHE . 1.3 p -37.05 153.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.951 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -45.19 170.14 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 110.318 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -33.87 4.32 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.553 1.817 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.68 -50.54 72.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 9.1 mm -69.1 -36.03 71.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -66.67 -38.9 87.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -61.76 -37.79 85.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . 0.468 HD23 ' CB ' ' A' ' 225' ' ' ARG . 0.3 OUTLIER -63.73 -43.75 95.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.445 ' O ' ' CB ' ' A' ' 208' ' ' ALA . 0.6 OUTLIER -67.72 -44.91 85.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -61.57 -33.97 74.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.327 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -89.83 4.24 50.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 208' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 205' ' ' ILE . . . -61.3 159.74 28.37 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 155.15 43.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 111.033 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.05 18.14 5.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 1.7 m -104.35 -10.11 18.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 212' ' ' LEU . . . . . 0.499 ' O ' ' CG2' ' A' ' 213' ' ' THR . 0.5 OUTLIER -140.45 140.25 35.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 213' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 212' ' ' LEU . 2.0 p -160.13 45.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 18.0 p -123.03 157.99 58.89 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 55.23 3.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -157.53 -58.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -73.88 -30.33 62.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.273 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 218' ' ' ILE . . . . . 0.421 ' N ' HD11 ' A' ' 218' ' ' ILE . 1.3 mp -63.96 -44.72 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 219' ' ' ILE . . . . . 0.559 HG23 ' CE2' ' A' ' 164' ' ' PHE . 3.3 mt -70.93 -50.16 44.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -56.37 -31.3 63.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.435 ' CZ ' HD22 ' A' ' 204' ' ' LEU . 1.0 OUTLIER -71.92 -49.1 40.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 23.7 t -61.02 -50.98 78.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 68.9 mt -59.29 -39.08 81.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -65.64 -37.28 86.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 225' ' ' ARG . . . . . 0.468 ' CB ' HD23 ' A' ' 204' ' ' LEU . 4.0 tpt180 -70.75 -41.22 72.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.467 ' O ' ' CG1' ' A' ' 19' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -39.46 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.479 1.778 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.4 ' HE3' ' CG ' ' A' ' 15' ' ' GLU . 2.8 pttt -68.15 -43.66 77.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.95 -43.66 74.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.467 ' CG1' ' O ' ' A' ' 15' ' ' GLU . 31.1 mt -58.82 -37.08 64.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.42 ' HA ' ' CG1' ' A' ' 59' ' ' VAL . 27.0 m -64.9 -39.86 94.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.409 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -48.42 68.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.467 HD23 ' CD2' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -64.26 -40.67 96.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.79 83.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.54 -43.1 99.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.447 ' CG2' ' HG3' ' A' ' 29' ' ' LYS . 1.3 m -58.74 -36.61 74.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 110.419 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.458 ' CG1' HG22 ' A' ' 36' ' ' THR . 3.6 t -61.88 -42.2 93.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -67.22 -48.91 66.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.9 p -68.28 -33.99 75.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 33' ' ' SER . 13.3 mmtt -81.1 -14.41 57.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.45 127.18 2.75 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.577 HD23 ' CZ ' ' A' ' 140' ' ' PHE . 0.1 OUTLIER -67.83 -33.16 74.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.01 2.63 56.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -95.48 156.13 37.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 0.0 109.983 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.04 99.65 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.522 1.801 . . . . 0.0 111.037 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.493 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 0.2 OUTLIER 164.3 -31.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.458 HG22 ' CG1' ' A' ' 26' ' ' VAL . 18.2 m -62.69 -48.94 77.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.393 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -44.32 93.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.12 -40.6 90.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.466 ' CD ' ' CD2' ' A' ' 22' ' ' LEU . 1.5 mt-10 -64.37 -48.39 75.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 44' ' ' MET . 97.5 t -62.86 -41.38 92.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 45' ' ' SER . 0.7 OUTLIER -69.93 -24.73 63.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.66 -54.95 35.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.547 ' CD1' ' CD2' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -71.06 -37.98 72.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.485 ' HB3' ' CG2' ' A' ' 133' ' ' THR . 9.7 mtt -74.2 -10.96 60.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' GLU . 35.3 t -36.33 -33.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.949 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -109.04 166.6 10.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.23 37.79 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.464 1.771 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.42 ' CD1' ' OG1' ' A' ' 133' ' ' THR . 0.3 OUTLIER -153.95 163.16 40.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.48 ' CD1' ' CB ' ' A' ' 117' ' ' PRO . 2.3 mt -67.65 163.72 45.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.98 -30.15 7.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.52 -41.89 83.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.563 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 0.5 OUTLIER -63.96 -32.01 73.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.473 ' CG1' ' CZ2' ' A' ' 69' ' ' TRP . 61.5 t -60.23 -44.13 94.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.407 1.067 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.6 p -66.78 -45.73 77.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.388 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.459 ' CG ' ' N ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -63.65 -42.56 98.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.547 ' CD2' ' CD1' ' A' ' 43' ' ' LEU . 8.3 tp -65.84 -52.22 52.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.528 ' HG3' ' CE2' ' A' ' 69' ' ' TRP . 10.8 mmt -57.69 -41.32 81.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.485 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 5.8 ttt85 -55.87 -35.47 66.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.42 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 48.4 t -74.02 -34.19 38.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.428 HG22 ' CZ ' ' A' ' 140' ' ' PHE . 64.2 mt -77.59 -44.14 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.564 HD23 ' CE1' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -121.11 137.56 54.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.512 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -62.6 -166.44 0.6 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.443 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.92 -25.74 11.75 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.541 1.811 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.52 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -68.76 -57.41 8.1 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.52 ' HD3' ' CB ' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.97 2.38 6.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.485 ' CE1' ' HB2' ' A' ' 58' ' ' ARG . 0.8 OUTLIER -73.55 -51.7 16.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.94 -28.95 69.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 mp -67.07 -48.54 67.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.656 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 25.2 t90 -71.18 -41.27 70.55 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -46.37 89.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -62.58 -46.95 85.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.52 -35.28 79.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.656 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 11.2 t90 -56.6 -42.84 79.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 107.965 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.405 ' O ' ' NE2' ' A' ' 78' ' ' GLN . . . -61.85 -40.11 98.4 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.128 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.0 t -68.28 -47.86 76.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.756 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.41 ' NE2' ' HA ' ' A' ' 76' ' ' GLN . 18.5 mm100 -59.87 -45.58 92.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 mt -60.94 -45.02 96.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.412 ' N ' HD12 ' A' ' 103' ' ' LEU . 38.9 mt-30 -59.95 -36.61 77.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.72 -40.61 84.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.398 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 t -66.47 -37.41 79.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.444 ' CG1' HD11 ' A' ' 103' ' ' LEU . 10.9 mm -69.44 -38.99 78.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.0 -36.99 75.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.575 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . . . -64.28 -49.38 72.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.13 -47.33 77.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.2 m -58.5 -39.3 79.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -75.21 -42.83 54.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.19 114.78 20.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.91 3.78 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.478 1.778 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.59 4.82 5.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -82.19 134.14 49.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.59 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -20.25 17.07 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.536 1.808 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.421 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -59.97 -15.97 26.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.48 ' O ' ' OD1' ' A' ' 93' ' ' ASN . 45.1 p30 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.6 ttm-85 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.0 t -70.84 166.49 20.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -143.89 131.57 21.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.444 HD11 ' CG1' ' A' ' 81' ' ' ILE . 4.4 tp -55.6 -39.86 71.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -60.31 -45.25 94.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -57.65 -46.66 83.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.2 mt -67.71 -20.85 65.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.94 -43.5 92.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 105.1 1.63 41.75 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.94 6.4 21.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.437 ' CB ' ' SD ' ' A' ' 113' ' ' MET . . . -58.5 144.85 41.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -60.76 126.78 28.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 89.26 -9.3 77.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.537 ' CE ' ' CD2' ' A' ' 124' ' ' LEU . 30.1 mtp -102.78 -17.75 15.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.1 t -85.21 121.89 37.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.06 2.34 68.97 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -138.74 104.24 7.57 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.459 0.74 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.48 ' CB ' ' CD1' ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.0 -69.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.527 1.804 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -53.74 -41.98 67.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.64 -40.99 99.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.469 1.106 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.409 ' CG ' ' HE1' ' A' ' 113' ' ' MET . 0.6 OUTLIER -60.45 -45.14 94.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 0.737 . . . . 0.0 110.328 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -60.14 -31.34 69.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.12 -16.0 58.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.468 ' CD1' ' HG3' ' A' ' 113' ' ' MET . 0.6 OUTLIER -86.07 -17.08 36.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.537 ' CD2' ' CE ' ' A' ' 113' ' ' MET . 0.1 OUTLIER -128.85 121.43 28.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.414 ' HD2' ' N ' ' A' ' 125' ' ' ARG . 0.2 OUTLIER -43.35 160.09 0.22 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 109.12 2.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 160.97 -44.6 0.4 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.421 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 7.5 mt-10 -57.07 -32.51 66.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 0.778 . . . . 0.0 110.261 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -41.69 99.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 56.9 t -59.53 -39.77 80.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.57 90.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.2 mt -69.07 -38.61 78.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.485 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 58.6 m -68.37 -40.3 81.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.394 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.76 -42.51 77.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.5 p -68.97 -34.61 75.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.034 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.7 -43.3 97.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.454 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -70.02 -33.04 71.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -73.0 -29.51 63.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.422 ' HB1' ' N ' ' A' ' 73' ' ' TRP . . . -78.75 -33.79 46.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.577 ' CZ ' HD23 ' A' ' 31' ' ' LEU . 5.7 t80 -74.4 -40.7 61.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -70.73 -24.88 62.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -73.59 -41.57 62.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 7.8 t -68.66 -43.35 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -72.9 -21.5 60.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' PRO . . . . . 0.534 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.898 0 N-CA-C 111.059 -0.4 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' TRP . . . . . 0.571 ' CZ3' HD13 ' A' ' 180' ' ' LEU . 30.0 p90 -101.67 -30.65 11.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 108.027 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -54.08 -32.0 53.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -79.13 -22.14 45.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.108 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.568 HG22 ' CE1' ' A' ' 167' ' ' PHE . 15.5 mt -79.65 120.5 31.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.535 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 63.9 m -129.26 126.35 38.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . 0.659 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 14.7 tm0? -66.51 129.62 40.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . 0.439 ' O ' ' NE2' ' A' ' 158' ' ' GLN . . . -123.23 164.83 16.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -23.62 13.67 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.81 -31.01 61.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.413 ' HG3' ' NH2' ' A' ' 170' ' ' ARG . 46.5 mm-40 -99.77 135.66 40.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.458 ' HB2' ' CB ' ' A' ' 166' ' ' ASP . 2.7 m -57.39 156.12 8.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . 0.578 ' CE2' HG21 ' A' ' 219' ' ' ILE . 0.8 OUTLIER -69.09 -51.83 34.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.47 ' CG2' HG22 ' A' ' 219' ' ' ILE . 1.1 p -66.23 -43.91 91.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.458 ' CB ' ' HB2' ' A' ' 163' ' ' SER . 39.5 t0 -56.3 -45.83 80.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.659 ' CZ ' ' N ' ' A' ' 158' ' ' GLN . 77.9 t80 -67.69 -43.46 80.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 193' ' ' PHE . . . -55.51 -34.2 64.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -66.3 -50.17 64.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 109.304 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.413 ' NH2' ' HG3' ' A' ' 162' ' ' GLU . 10.9 mtm105 -59.79 -38.13 81.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 0.566 HD13 ' CE2' ' A' ' 167' ' ' PHE . 3.3 tt -69.24 -49.45 56.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . 0.431 ' CG1' HG21 ' A' ' 189' ' ' ILE . 16.5 mt -57.68 -40.46 75.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -63.25 -36.93 85.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . 0.477 ' HB2' ' CD1' ' A' ' 156' ' ' ILE . . . -68.33 -52.95 27.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . . . . . . . . . 42.5 t -57.12 -45.61 84.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.53 -43.0 89.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -88.9 22.3 22.74 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.125 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 49.2 p -118.6 165.87 13.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 109.958 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.46 90.31 5.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.571 HD13 ' CZ3' ' A' ' 153' ' ' TRP . 10.0 mt -119.16 162.77 30.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 172.43 16.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.791 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 136.75 20.82 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.789 . . . . 0.0 111.018 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.04 7.35 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -99.7 -15.48 18.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -88.78 79.61 7.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.48 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 170.47 -55.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 187' ' ' PRO . . . . . 0.48 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -75.03 -27.64 9.79 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 29.1 t -70.88 -40.47 76.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 189' ' ' ILE . . . . . 0.431 HG21 ' CG1' ' A' ' 172' ' ' ILE . 19.1 mt -67.94 -48.27 75.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 190' ' ' ILE . . . . . 0.46 ' CD1' ' C ' ' A' ' 213' ' ' THR . 94.3 mt -64.62 -35.47 74.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.73 -43.43 90.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 26.0 m -56.91 -49.47 75.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 108.29 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 193' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 168' ' ' ALA . 13.3 m-30 -53.15 -40.75 64.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 194' ' ' ARG . . . . . 0.459 ' O ' ' NE2' ' A' ' 202' ' ' GLN . 0.1 OUTLIER -96.25 15.67 20.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -94.51 -46.03 7.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.277 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 196' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 197' ' ' SER . 16.3 mtpt -141.17 -92.46 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 197' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 196' ' ' LYS . 0.7 OUTLIER 36.78 -156.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.021 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -80.48 158.79 70.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -38.82 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.464 1.771 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -65.62 -32.38 73.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 16.6 mm -73.1 -45.27 54.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.34 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 202' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 194' ' ' ARG . 6.8 mt-30 -62.13 -38.6 89.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . 0.448 ' O ' ' NE2' ' A' ' 203' ' ' GLN . 31.5 tp60 -63.06 -34.84 78.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . 0.471 HD22 ' CG ' ' A' ' 225' ' ' ARG . 0.3 OUTLIER -70.37 -49.55 48.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -38.12 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -34.0 77.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -89.48 2.25 54.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.253 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 208' ' ' ALA . . . . . 0.522 ' HA ' ' CE2' ' A' ' 221' ' ' TYR . . . -62.37 158.19 49.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.82 41.18 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.537 1.809 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.55 24.63 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.04 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 14.9 t -109.33 -1.77 18.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.417 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 212' ' ' LEU . . . . . 0.501 ' O ' ' CG2' ' A' ' 213' ' ' THR . 0.5 OUTLIER -148.67 145.16 27.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 213' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 212' ' ' LEU . 1.7 p -160.95 50.54 0.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.436 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 69.6 p -123.61 158.88 57.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.424 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 54.35 3.62 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -158.98 -54.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.142 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -74.05 -34.74 64.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 218' ' ' ILE . . . . . 0.486 HD11 ' CD1' ' A' ' 212' ' ' LEU . 0.7 OUTLIER -64.3 -41.54 92.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 219' ' ' ILE . . . . . 0.578 HG21 ' CE2' ' A' ' 164' ' ' PHE . 5.3 mt -74.67 -50.26 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -33.49 64.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.522 ' CE2' ' HA ' ' A' ' 208' ' ' ALA . 10.4 t80 -71.87 -49.4 38.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 12.8 t -60.29 -43.99 94.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 19.5 mt -63.68 -41.21 98.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.22 -35.48 80.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 225' ' ' ARG . . . . . 0.471 ' CG ' HD22 ' A' ' 204' ' ' LEU . 1.5 tpm_? -74.97 -38.82 61.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.279 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -44.81 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -36.95 72.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.19 -38.77 75.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.424 ' CG2' HD11 ' A' ' 56' ' ' LEU . 11.0 mt -69.74 -36.98 72.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.1 m -61.72 -50.06 73.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.406 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -64.45 -37.89 89.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.455 ' CD1' HD23 ' A' ' 43' ' ' LEU . 1.4 mt -66.39 -43.74 85.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.47 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -65.18 -32.2 73.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.05 -46.04 90.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.412 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.3 m -59.55 -39.35 83.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.451 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.434 ' CG1' HG21 ' A' ' 36' ' ' THR . 2.7 t -59.33 -40.51 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -48.51 68.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.243 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.0 p -67.48 -30.46 70.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.356 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.457 ' CB ' HG23 ' A' ' 35' ' ' ILE . 17.5 mmtt -84.75 -13.33 51.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.16 126.01 5.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.452 HD12 ' CZ ' ' A' ' 140' ' ' PHE . 0.5 OUTLIER -66.88 -31.22 71.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.76 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.59 2.13 55.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.78 164.63 38.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.977 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 37' ' ' MET . 18.3 Cg_endo -74.95 -45.09 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.457 HG23 ' CB ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -41.44 -29.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.15 . . . . 0.0 109.337 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.522 HG22 ' CZ ' ' A' ' 140' ' ' PHE . 19.4 m -60.39 -48.99 79.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -63.22 -39.72 95.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.939 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.99 84.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.27 -47.04 84.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.449 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 34.5 t -61.74 -47.55 92.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 45' ' ' SER . 4.3 mt-10 -62.75 -24.55 67.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.17 -55.56 17.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.469 ' CD1' HD22 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -72.26 -42.12 65.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.499 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 29.8 mtt -74.07 -10.12 59.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 44' ' ' MET . 6.1 m -34.41 -35.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.4 OUTLIER -109.12 165.85 11.89 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.058 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 147.08 33.35 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.531 1.806 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.412 HD13 ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -140.57 -173.73 3.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.65 165.14 34.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -34.03 4.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.422 1.749 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.445 ' O ' ' OG1' ' A' ' 54' ' ' THR . 1.5 t-160 -67.62 -43.88 79.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.551 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -64.23 -32.47 74.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.412 ' CG2' HD13 ' A' ' 48' ' ' LEU . 2.1 t -59.39 -47.84 89.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.447 ' CG2' ' HE1' ' A' ' 70' ' ' MET . 19.1 p -67.43 -42.55 82.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.378 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -60.96 -42.62 98.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 43' ' ' LEU . 15.4 tp -69.36 -50.1 49.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.564 ' HG3' ' CZ2' ' A' ' 69' ' ' TRP . 19.1 mmt -57.63 -30.91 65.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 35.6 ttt85 -69.53 -37.17 77.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.465 HG11 ' CB ' ' A' ' 23' ' ' ALA . 34.4 t -69.5 -47.34 72.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.47 HG12 ' CB ' ' A' ' 23' ' ' ALA . 97.6 mt -71.58 -43.17 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.408 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -114.81 124.45 51.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.488 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -55.67 -173.1 0.13 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.416 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.4 Cg_endo -74.97 -19.46 17.89 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 111.04 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.551 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -71.46 -59.06 3.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.551 ' HD3' ' CB ' ' A' ' 64' ' ' ALA . 18.6 Cg_endo -74.96 4.76 4.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 58' ' ' ARG . 1.3 t80 -77.67 -48.88 15.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.89 -33.75 72.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.4 mp -69.28 -44.36 72.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.564 ' CZ2' ' HG3' ' A' ' 57' ' ' MET . 25.6 t90 -70.53 -35.46 73.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 107.991 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.447 ' HE1' ' CG2' ' A' ' 54' ' ' THR . 3.0 mmt -64.36 -41.6 96.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -70.7 -42.28 70.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.99 -38.78 83.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.454 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 14.7 t90 -62.94 -41.52 99.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 107.994 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.25 -45.16 94.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.1 t -68.1 -47.09 80.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -56.21 -45.54 79.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.469 ' CD2' HD12 ' A' ' 106' ' ' LEU . 3.2 mt -60.62 -46.61 89.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.418 ' N ' HD11 ' A' ' 103' ' ' LEU . 43.3 mt-30 -63.01 -30.62 71.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -66.84 -37.17 83.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.85 -47.05 89.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.463 HG13 ' CG2' ' A' ' 101' ' ' THR . 1.5 mp -66.27 -45.38 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.11 -36.77 80.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.561 ' HB1' ' CD2' ' A' ' 90' ' ' HIS . . . -64.71 -49.45 70.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.438 ' HB3' ' CB ' ' A' ' 90' ' ' HIS . . . -63.26 -34.97 78.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.2 m -68.22 -40.56 82.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.7 mtt85 -72.26 -43.41 64.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.33 122.27 13.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.66 3.69 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -120.6 -5.6 9.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.561 ' CD2' ' HB1' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -73.03 130.73 84.53 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.612 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -21.43 15.88 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.797 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.407 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -66.66 -10.46 46.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.455 ' O ' ' OD1' ' A' ' 93' ' ' ASN . 30.4 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.463 ' CG2' HG13 ' A' ' 81' ' ' ILE . 4.3 t -75.14 169.52 17.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.389 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.404 ' N ' ' HG1' ' A' ' 101' ' ' THR . 10.1 m120 -150.48 144.54 25.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.418 HD11 ' N ' ' A' ' 78' ' ' GLN . 1.9 tp -59.98 -40.82 90.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.87 -45.17 95.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -41.2 97.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.469 HD12 ' CD2' ' A' ' 77' ' ' LEU . 7.2 mt -72.24 -19.48 61.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.34 -51.33 11.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.466 ' HA2' ' CE ' ' A' ' 113' ' ' MET . . . 110.69 27.56 4.31 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.7 tp -107.04 5.69 28.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.43 ' CB ' ' SD ' ' A' ' 113' ' ' MET . . . -64.73 151.34 45.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.23 128.34 36.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.55 -16.64 60.84 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.56 1.163 . . . . 0.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.466 ' CE ' ' HA2' ' A' ' 108' ' ' GLY . 32.9 mtp -102.54 -23.74 13.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.6 t -72.1 122.23 24.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.79 2.51 75.32 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.438 1.086 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.464 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 18.5 m-20 -138.51 104.07 7.76 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -68.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -49.14 69.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.91 -35.76 84.54 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 0.0 OUTLIER -65.64 -44.15 87.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.15 73.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.23 -15.97 59.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.456 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 0.2 OUTLIER -86.54 -28.23 23.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.403 ' CD2' ' HE2' ' A' ' 113' ' ' MET . 1.1 mt -92.36 120.92 33.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.98 156.98 0.42 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 108.9 2.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.439 1.757 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 152.02 -43.31 0.67 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.407 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 24.8 mt-10 -56.76 -34.35 67.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 110.332 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.7 mt -58.76 -44.11 90.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 8.7 t -59.64 -39.83 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.53 -37.25 70.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 45.0 mt -69.22 -42.0 81.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.432 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 4.1 m -62.75 -48.55 78.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.419 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.47 88.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -36.61 79.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.989 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.05 -43.28 92.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.499 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.3 OUTLIER -69.7 -33.73 72.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -69.15 -41.52 77.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.418 ' HB1' ' N ' ' A' ' 73' ' ' TRP . . . -68.66 -33.16 73.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.522 ' CZ ' HG22 ' A' ' 36' ' ' THR . 5.8 t80 -61.26 -65.42 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -52.96 -25.1 10.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.59 -34.09 75.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 4.1 t -77.99 -33.04 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -72.84 -45.99 55.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' PRO . . . . . 0.57 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 N-CA-C 111.007 -0.421 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' TRP . . . . . 0.57 ' CE3' ' HG2' ' A' ' 152' ' ' PRO . 38.3 p90 -92.83 -20.79 20.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 108.012 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -61.27 -32.61 72.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 109.247 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.66 -14.43 58.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.517 HG21 ' CE1' ' A' ' 167' ' ' PHE . 4.0 mt -92.84 120.72 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.604 ' C ' ' CZ ' ' A' ' 167' ' ' PHE . 2.7 m -129.44 137.63 50.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.363 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . 0.513 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 1.1 tm0? -77.73 127.14 31.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -122.38 160.35 16.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . 0.429 ' HB3' ' OE1' ' A' ' 198' ' ' GLN . 18.1 Cg_endo -75.05 -19.84 17.34 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 56.5 p -79.48 -16.66 55.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.06 136.67 52.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.432 ' CB ' ' HB2' ' A' ' 166' ' ' ASP . 0.3 OUTLIER -56.22 133.1 52.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.021 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . 0.52 ' CE2' HG23 ' A' ' 219' ' ' ILE . 1.5 t80 -56.54 -52.59 64.19 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.481 HG21 ' CG2' ' A' ' 219' ' ' ILE . 0.5 OUTLIER -62.66 -37.53 79.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.432 ' HB2' ' CB ' ' A' ' 163' ' ' SER . 35.5 m-20 -62.92 -48.18 80.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.604 ' CZ ' ' C ' ' A' ' 157' ' ' THR . 87.6 t80 -67.15 -37.71 84.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -57.83 -36.87 72.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -67.06 -47.28 71.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 32.3 mtp85 -61.74 -37.6 84.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 0.579 HD13 ' CE2' ' A' ' 167' ' ' PHE . 0.5 OUTLIER -70.22 -50.4 40.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . 0.439 ' CG1' HG22 ' A' ' 189' ' ' ILE . 37.6 mt -57.93 -38.67 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.86 -36.61 83.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . 0.474 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -68.84 -51.03 44.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . . . . . . . . . 52.6 t -59.22 -48.03 88.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.98 -35.17 61.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -102.02 26.41 24.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 25.8 p -116.39 166.07 12.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.765 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -88.72 80.52 7.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.547 ' CD1' ' CZ3' ' A' ' 153' ' ' TRP . 17.5 mt -123.6 154.08 66.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 162.24 37.37 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 64.94 6.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.445 1.761 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 4.2 t -179.18 -37.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.402 ' C ' ' HD2' ' A' ' 187' ' ' PRO . . . -80.97 -11.61 59.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -84.29 70.3 10.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.513 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 174.59 -57.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 187' ' ' PRO . . . . . 0.513 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.1 Cg_endo -74.97 -26.9 10.54 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.506 1.793 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 20.7 t -66.39 -38.44 81.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 189' ' ' ILE . . . . . 0.439 HG22 ' CG1' ' A' ' 172' ' ' ILE . 16.2 mt -68.21 -48.06 75.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 190' ' ' ILE . . . . . 0.416 ' CD1' ' C ' ' A' ' 213' ' ' THR . 53.3 mt -66.35 -35.86 75.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.93 -36.27 78.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 192' ' ' CYS . . . . . 0.404 ' HA ' ' HB2' ' A' ' 195' ' ' GLN . 34.9 m -62.83 -48.37 79.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 108.281 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 193' ' ' PHE . . . . . 0.417 ' O ' ' OG ' ' A' ' 197' ' ' SER . 9.0 m-30 -53.7 -50.72 65.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 194' ' ' ARG . . . . . 0.454 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 8.5 ptm180 -76.86 1.04 18.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . 0.404 ' HB2' ' HA ' ' A' ' 192' ' ' CYS . 1.1 tp60 -81.75 -40.92 21.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.254 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.55 78.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 197' ' ' SER . . . . . 0.606 ' O ' ' O ' ' A' ' 198' ' ' GLN . 25.4 p -145.15 92.16 2.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 110.043 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 198' ' ' GLN . . . . . 0.606 ' O ' ' O ' ' A' ' 197' ' ' SER . 0.5 OUTLIER 51.25 156.0 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -44.31 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.473 1.775 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -45.64 76.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.503 ' HB ' ' O ' ' A' ' 197' ' ' SER . 12.7 mm -59.71 -29.84 43.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -49.19 32.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . 0.492 ' O ' ' CB ' ' A' ' 207' ' ' ALA . 1.1 mt-30 -66.37 -27.66 68.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . 0.471 HD23 ' CB ' ' A' ' 225' ' ' ARG . 0.4 OUTLIER -68.42 -49.26 61.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.475 ' O ' ' CB ' ' A' ' 208' ' ' ALA . 1.2 mt -68.8 -48.78 69.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 206' ' ' ARG . . . . . 0.47 ' CD ' ' HA ' ' A' ' 203' ' ' GLN . 2.2 ptm180 -59.47 -33.44 71.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 207' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 203' ' ' GLN . . . -89.42 3.75 51.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 208' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 205' ' ' ILE . . . -64.51 158.26 67.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 153.71 41.98 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.512 1.796 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.19 14.15 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 12.4 t -96.27 -5.9 39.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 110.417 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 212' ' ' LEU . . . . . 0.506 ' O ' ' CG2' ' A' ' 213' ' ' THR . 0.4 OUTLIER -148.54 145.4 27.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 213' ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' ' 212' ' ' LEU . 1.7 p -161.12 46.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 56.0 p -120.45 158.3 51.61 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.46 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 54.65 3.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -160.87 -50.12 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -74.37 -36.73 63.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.757 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 218' ' ' ILE . . . . . 0.466 ' CD1' ' N ' ' A' ' 218' ' ' ILE . 1.1 mp -63.7 -51.47 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 219' ' ' ILE . . . . . 0.52 HG23 ' CE2' ' A' ' 164' ' ' PHE . 3.5 mt -63.7 -45.87 96.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.69 -34.94 73.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.439 ' CE2' ' HA ' ' A' ' 208' ' ' ALA . 0.3 OUTLIER -74.02 -48.5 29.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . 0.475 HG11 ' CD1' ' A' ' 201' ' ' ILE . 5.4 t -59.99 -45.56 95.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 33.1 mt -62.99 -35.77 81.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -67.97 -35.55 78.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 225' ' ' ARG . . . . . 0.471 ' CB ' HD23 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -74.62 -44.67 49.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.275 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.466 ' CG ' HD11 ' A' ' 18' ' ' LEU . 1.7 pt-20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -37.83 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -58.43 -49.74 76.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.466 HD11 ' CG ' ' A' ' 15' ' ' GLU . 97.0 mt -69.92 -45.48 67.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.42 ' CD1' ' CD1' ' A' ' 56' ' ' LEU . 39.4 mt -58.18 -36.64 58.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.2 m -66.79 -41.7 87.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 110.333 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 mtp85 -67.5 -48.95 65.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.472 HD21 ' CG ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER -64.66 -44.57 89.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.422 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -61.76 -31.6 71.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -61.52 -42.78 99.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.409 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -63.04 -37.59 87.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.378 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.468 ' CG1' HG22 ' A' ' 36' ' ' THR . 1.7 t -56.49 -49.35 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -48.41 81.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.3 p -60.47 -34.76 74.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.383 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.473 ' CG ' HG23 ' A' ' 35' ' ' ILE . 16.5 mmtt -82.39 -14.5 55.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.1 130.02 6.9 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.24 -29.47 69.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.411 ' CG ' ' O ' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -90.59 2.52 55.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.62 164.09 41.49 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.004 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' MET . 18.2 Cg_endo -75.03 -45.97 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.473 HG23 ' CG ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -41.04 -29.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.468 HG22 ' CG1' ' A' ' 26' ' ' VAL . 39.4 m -61.41 -49.45 76.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.374 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -64.26 -42.01 96.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.46 -51.7 66.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.472 ' CG ' HD21 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -59.86 -47.22 86.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.508 HG23 ' CE2' ' A' ' 140' ' ' PHE . 6.4 t -59.63 -39.66 80.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 45' ' ' SER . 0.6 OUTLIER -71.25 -24.62 62.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.401 ' O ' ' OG ' ' A' ' 45' ' ' SER . . . -61.7 -54.46 42.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.21 -48.02 53.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.49 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 18.2 mtt -67.96 -10.7 55.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' GLU . 78.7 p -37.65 -31.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.014 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.5 OUTLIER -110.74 165.02 13.48 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.0 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 149.94 37.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.532 1.806 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.5 ' CD1' ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -150.85 173.96 13.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.434 HD22 ' N ' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -78.87 165.09 51.66 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -30.4 7.25 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.459 ' O ' ' OG1' ' A' ' 54' ' ' THR . 27.9 t60 -65.93 -47.89 73.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.576 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -64.81 -31.16 72.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.5 ' CG2' ' CD1' ' A' ' 48' ' ' LEU . 3.5 t -59.51 -47.66 90.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.519 ' CG2' ' CZ3' ' A' ' 73' ' ' TRP . 4.6 p -66.4 -41.49 89.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.401 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -68.02 -35.08 77.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.42 ' CD1' ' CD1' ' A' ' 19' ' ' ILE . 1.1 tt -70.37 -53.55 16.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.551 ' SD ' ' CZ2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -61.17 -41.53 96.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 111.004 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 61' ' ' LEU . 1.9 ttt180 -55.57 -36.93 67.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.9 t -69.41 -34.23 61.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.422 HG12 ' CB ' ' A' ' 23' ' ' ALA . 7.2 mt -77.57 -43.89 29.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -119.79 126.94 52.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.469 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -53.28 -170.1 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.4 ' O ' ' HB3' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.04 -19.07 18.12 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.517 1.799 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.572 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -70.17 -59.68 4.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.097 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.572 ' HD3' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.99 1.81 7.32 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.509 1.794 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.57 ' CE1' ' SD ' ' A' ' 70' ' ' MET . 39.0 t80 -71.72 -47.65 52.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.78 75.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.456 ' CB ' HG23 ' A' ' 143' ' ' VAL . 6.2 mp -65.68 -45.03 84.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.551 ' CZ2' ' SD ' ' A' ' 57' ' ' MET . 71.0 t90 -69.33 -36.79 77.3 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.57 ' SD ' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -64.44 -44.75 90.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -65.54 -42.46 91.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.467 ' HB3' ' CB ' ' A' ' 139' ' ' ALA . . . -69.57 -36.64 76.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.519 ' CZ3' ' CG2' ' A' ' 54' ' ' THR . 14.7 t90 -66.65 -37.33 84.58 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.406 ' O ' ' NE2' ' A' ' 78' ' ' GLN . . . -60.97 -42.4 99.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.03 -47.17 79.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.786 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.455 ' OE1' ' CB ' ' A' ' 138' ' ' GLN . 45.0 mm-40 -57.94 -43.8 86.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.451 ' CD2' HD11 ' A' ' 106' ' ' LEU . 1.3 mt -64.2 -45.43 88.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.419 ' N ' HD13 ' A' ' 103' ' ' LEU . 39.0 mt-30 -61.22 -31.71 71.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 m -63.64 -38.47 91.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.386 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.75 -34.82 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.5 mm -71.81 -50.12 40.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.91 -47.08 86.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.56 -48.38 77.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.45 -47.85 83.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 m -58.88 -31.2 68.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -74.96 -43.12 55.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -121.26 114.6 31.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 54.38 3.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -142.53 14.66 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.447 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -85.08 140.31 36.97 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.626 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -21.39 15.85 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.472 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -63.47 -22.19 66.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.475 ' CA ' ' HB ' ' A' ' 101' ' ' THR . 15.5 p30 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.475 ' HB ' ' CA ' ' A' ' 93' ' ' ASN . 9.0 t -74.33 147.89 41.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.54 147.62 52.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 5.5 tp -64.41 -45.77 86.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.484 ' HA ' ' CG ' ' A' ' 107' ' ' LYS . 56.6 t0 -57.58 -37.85 73.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.19 -35.18 59.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.451 HD11 ' CD2' ' A' ' 77' ' ' LEU . 46.9 mt -86.05 -29.97 23.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.484 ' CG ' ' HA ' ' A' ' 104' ' ' ASP . 11.9 mmtt -47.18 -44.42 22.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 103.71 4.86 45.61 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.72 4.74 53.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.787 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.81 132.11 52.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.86 135.13 7.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.09 -18.86 37.9 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.468 ' CG ' HD11 ' A' ' 123' ' ' LEU . 5.1 mtt -102.4 -2.4 28.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 0.798 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 1.7 t -93.57 122.18 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 78.43 2.13 83.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -123.19 107.1 32.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.321 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -77.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -53.95 -35.38 61.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -66.85 -39.41 93.43 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.464 ' CG ' HD11 ' A' ' 124' ' ' LEU . 29.8 tt0 -64.64 -43.77 92.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.754 . . . . 0.0 110.324 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.78 -33.83 76.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.21 -24.96 51.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.468 HD11 ' CG ' ' A' ' 113' ' ' MET . 0.2 OUTLIER -79.03 -31.49 44.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.464 HD11 ' CG ' ' A' ' 120' ' ' GLN . 1.5 mt -86.78 177.71 7.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.445 ' NH1' ' HB2' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -109.1 156.84 38.51 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.304 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 108.84 2.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.559 1.821 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.99 -36.6 1.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.472 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 6.7 mt-10 -67.07 -31.88 72.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.09 -49.04 79.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.54 -39.45 81.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.22 -44.44 88.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.9 mt -68.63 -38.83 79.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.488 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 62.5 m -63.51 -43.88 95.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.96 -47.93 67.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.4 m -58.77 -33.86 70.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.958 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.42 -43.12 91.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.49 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -65.4 -36.77 84.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.455 ' CB ' ' OE1' ' A' ' 76' ' ' GLN . 6.1 mm-40 -64.3 -43.62 94.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 72' ' ' ALA . . . -67.62 -32.28 72.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.508 ' CE2' HG23 ' A' ' 40' ' ' VAL . 2.4 t80 -61.97 -49.06 77.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.943 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -31.38 71.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -61.8 -41.86 98.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.456 HG23 ' CB ' ' A' ' 68' ' ' LEU . 77.8 t -77.87 -43.21 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.411 ' O ' ' CG ' ' A' ' 32' ' ' ARG . . . -55.19 -49.99 70.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 155' ' ' ASP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.033 -0.41 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' TRP . . . . . 0.586 ' CH2' ' HG ' ' A' ' 180' ' ' LEU . 18.5 p90 -51.75 -30.97 24.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 108.02 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.19 -31.88 73.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 152' ' ' PRO . 32.1 t70 -79.25 -22.07 45.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.603 ' CD1' ' CB ' ' A' ' 174' ' ' ALA . 9.5 mt -83.55 120.68 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.57 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 64.8 p -131.25 144.7 51.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . 0.561 ' HG2' ' CD2' ' A' ' 167' ' ' PHE . 0.0 OUTLIER -79.46 122.55 26.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 110.313 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . 0.454 ' N ' ' OE1' ' A' ' 158' ' ' GLN . . . -111.46 163.36 12.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.42 15.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.88 -30.25 35.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.011 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -102.78 135.59 44.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.4 t -57.25 132.85 54.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.086 . . . . 0.0 110.01 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . 0.574 ' CE2' HG22 ' A' ' 219' ' ' ILE . 1.7 t80 -56.79 -52.46 64.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.491 HG21 ' CG2' ' A' ' 219' ' ' ILE . 0.3 OUTLIER -59.73 -48.2 88.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.484 ' N ' ' CG1' ' A' ' 165' ' ' VAL . 2.0 t0 -56.56 -44.65 81.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.57 ' CE1' ' C ' ' A' ' 157' ' ' THR . 1.1 t80 -65.86 -38.99 90.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.487 ' HB1' ' CZ ' ' A' ' 193' ' ' PHE . . . -56.82 -33.74 67.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -69.29 -49.56 54.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.419 ' NH2' ' HD2' ' A' ' 173' ' ' LYS . 3.3 mmp_? -60.59 -37.09 80.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.276 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 0.553 HD13 ' CZ ' ' A' ' 167' ' ' PHE . 5.2 tt -72.36 -49.08 36.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 55.1 mt -56.48 -46.7 82.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' LYS . . . . . 0.419 ' HD2' ' NH2' ' A' ' 170' ' ' ARG . 0.2 OUTLIER -60.18 -39.93 88.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . 0.603 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -63.24 -44.92 93.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . 0.477 ' CG1' ' HG2' ' A' ' 185' ' ' ARG . 22.6 t -65.47 -38.49 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -36.78 58.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -106.16 24.51 26.17 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 4.2 p -108.74 166.45 10.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 0.76 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -78.88 66.48 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.586 ' HG ' ' CH2' ' A' ' 153' ' ' TRP . 7.7 mt -131.33 140.97 40.13 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.58 42.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' PRO . . . . . 0.517 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.3 Cg_endo -74.96 82.02 2.08 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 183' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.6 OUTLIER 157.89 -31.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.613 ' O ' ' CG2' ' A' ' 188' ' ' VAL . . . -84.81 -18.92 33.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . 0.529 ' O ' ' CD1' ' A' ' 189' ' ' ILE . 58.6 mtm180 -75.29 -21.56 58.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.536 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . -64.01 -58.4 14.69 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 187' ' ' PRO . . . . . 0.536 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.1 Cg_endo -75.04 -37.55 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.78 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.613 ' CG2' ' O ' ' A' ' 184' ' ' ALA . 21.9 t -57.16 -39.86 69.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 189' ' ' ILE . . . . . 0.529 ' CD1' ' O ' ' A' ' 185' ' ' ARG . 50.3 mt -68.04 -48.33 74.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 190' ' ' ILE . . . . . 0.431 HD13 ' N ' ' A' ' 214' ' ' THR . 65.2 mt -63.0 -42.29 96.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 191' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 195' ' ' GLN . 0.6 OUTLIER -59.12 -40.46 85.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 192' ' ' CYS . . . . . 0.472 ' CB ' HD11 ' A' ' 171' ' ' LEU . 83.0 m -53.61 -45.94 70.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 108.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 193' ' ' PHE . . . . . 0.487 ' CZ ' ' HB1' ' A' ' 168' ' ' ALA . 6.4 m-30 -62.1 -30.64 71.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 194' ' ' ARG . . . . . 0.431 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 0.1 OUTLIER -113.35 29.97 7.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 191' ' ' ASP . 4.0 mt-30 -119.76 -40.21 2.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.337 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 196' ' ' LYS . . . . . 0.463 ' HG3' ' CG2' ' A' ' 157' ' ' THR . 0.1 OUTLIER -149.34 63.07 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 197' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 198' ' ' GLN . 2.0 m -146.11 157.87 43.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.967 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 198' ' ' GLN . . . . . 0.426 ' O ' ' O ' ' A' ' 197' ' ' SER . 0.1 OUTLIER -39.29 160.28 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 199' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 198' ' ' GLN . 18.2 Cg_endo -75.02 -32.05 5.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -57.93 -43.78 86.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 41.7 mm -74.9 -45.46 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -60.19 -38.66 83.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -65.57 -34.46 78.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . 0.469 HD12 ' CD ' ' A' ' 225' ' ' ARG . 0.3 OUTLIER -70.31 -48.94 54.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.431 ' CG2' ' HB3' ' A' ' 194' ' ' ARG . 0.5 OUTLIER -63.81 -40.02 87.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -64.17 -34.35 77.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -89.49 3.98 50.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 208' ' ' ALA . . . . . 0.531 ' HA ' ' CE2' ' A' ' 221' ' ' TYR . . . -61.33 154.17 64.6 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 154.67 42.86 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.485 1.781 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.26 11.11 15.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 17.7 m -94.26 -14.6 25.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 212' ' ' LEU . . . . . 0.484 ' O ' ' CG2' ' A' ' 213' ' ' THR . 0.2 OUTLIER -135.86 142.45 44.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 213' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' A' ' 212' ' ' LEU . 1.6 p -160.19 46.76 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.386 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 214' ' ' THR . . . . . 0.431 ' N ' HD13 ' A' ' 190' ' ' ILE . 38.1 p -126.54 159.23 64.45 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.397 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.83 3.77 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.549 1.815 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -156.41 -57.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -74.5 -30.4 61.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.244 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 218' ' ' ILE . . . . . 0.468 HD11 ' CD1' ' A' ' 212' ' ' LEU . 0.7 OUTLIER -63.14 -45.57 98.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 219' ' ' ILE . . . . . 0.574 HG22 ' CE2' ' A' ' 164' ' ' PHE . 3.4 mt -73.03 -45.68 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -57.23 -36.32 70.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.531 ' CE2' ' HA ' ' A' ' 208' ' ' ALA . 0.8 OUTLIER -71.55 -45.72 61.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 12.6 t -60.61 -48.7 87.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.459 ' CD1' HG21 ' A' ' 165' ' ' VAL . 83.9 mt -61.93 -37.87 86.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -66.98 -31.91 72.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 225' ' ' ARG . . . . . 0.469 ' CD ' HD12 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -77.57 -40.94 40.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -34.43 3.78 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.781 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.06 -43.79 77.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.5 mt -68.69 -41.45 79.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.1 mt -59.86 -37.49 72.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.2 m -66.54 -39.03 88.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 0.0 110.372 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -64.64 -48.46 74.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 110.372 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mt -66.46 -41.78 88.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.422 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -59.92 -36.66 77.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.89 -42.2 99.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.492 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -59.33 -37.46 77.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.414 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.493 HG11 ' CG2' ' A' ' 36' ' ' THR . 13.7 t -61.79 -43.81 97.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -48.3 80.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.7 p -71.11 -30.74 66.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.376 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 25' ' ' THR . 17.8 mmtt -82.57 -14.62 54.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 95.83 122.29 3.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.428 ' CD1' HG12 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -67.7 -27.95 67.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.5 ttt-85 -94.22 1.92 55.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 m -88.76 156.7 49.82 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.953 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 49.41 2.25 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.468 1.773 . . . . 0.0 111.019 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.437 HG22 ' CB ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -131.36 -34.88 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.655 ' CG2' ' CZ ' ' A' ' 140' ' ' PHE . 22.7 m -57.37 -42.6 82.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.396 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.474 ' CE ' ' HG3' ' A' ' 141' ' ' ARG . 0.3 OUTLIER -65.0 -41.19 95.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.65 -53.1 30.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.74 -47.29 86.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 36' ' ' THR . 44.8 t -60.15 -48.52 87.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 45' ' ' SER . 8.0 mt-10 -62.37 -24.41 67.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.346 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.45 -55.68 19.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 0.9 OUTLIER -72.8 -41.3 65.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.519 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 30.8 mtt -73.64 -10.98 60.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 41' ' ' GLU . 8.5 t -38.24 -30.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.985 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -110.95 166.55 10.55 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.955 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 147.12 33.36 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.5 1.789 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.47 ' CD1' HG21 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -146.99 165.11 30.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.92 163.13 53.0 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -34.08 4.06 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.496 1.787 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.413 ' O ' ' OG1' ' A' ' 54' ' ' THR . 62.3 m-70 -67.99 -40.58 83.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.571 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -63.9 -33.1 74.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' A' ' 48' ' ' LEU . 54.7 t -58.29 -45.56 89.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 51' ' ' HIS . 30.7 p -66.57 -44.99 80.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.372 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.457 ' ND2' ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -63.85 -35.33 80.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.443 HD21 ' CD1' ' A' ' 43' ' ' LEU . 3.1 tp -71.57 -52.29 18.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.544 ' HG2' ' CD1' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -58.25 -44.63 88.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' A' ' 61' ' ' LEU . 21.8 ttt180 -57.0 -36.45 70.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.9 t -70.66 -35.09 59.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.422 HG12 ' CB ' ' A' ' 23' ' ' ALA . 5.1 mt -77.16 -43.58 31.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -123.54 133.59 53.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.46 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -50.1 -176.69 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.416 ' O ' ' HB3' ' A' ' 66' ' ' TYR . 18.4 Cg_endo -75.0 -18.13 18.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.574 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -71.42 -59.76 3.01 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.574 ' HD3' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.0 0.5 8.83 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.444 1.76 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.422 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 27.2 t80 -75.16 -44.86 44.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.46 -29.84 68.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.45 ' CB ' HG22 ' A' ' 143' ' ' VAL . 6.9 mp -68.56 -44.38 74.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.544 ' CD1' ' HG2' ' A' ' 57' ' ' MET . 16.1 t90 -70.57 -39.84 73.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.044 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.0 mmt -60.7 -41.23 94.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -70.65 -44.8 66.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.72 -30.34 69.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.512 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 19.6 t90 -66.77 -37.28 84.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 108.018 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.34 -41.8 98.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.4 t -68.08 -46.86 80.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.453 ' CG ' ' HB3' ' A' ' 138' ' ' GLN . 1.7 mp0 -59.21 -46.54 88.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.486 ' CD2' ' CD1' ' A' ' 106' ' ' LEU . 2.8 mt -58.54 -44.05 89.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.407 ' N ' HD12 ' A' ' 103' ' ' LEU . 27.9 mt-30 -58.21 -37.07 74.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.48 -35.53 76.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.415 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.1 t -71.16 -37.94 68.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.468 HG12 ' CD1' ' A' ' 103' ' ' LEU . 6.3 mm -63.84 -49.39 82.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.45 -43.24 81.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.84 -46.47 81.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.57 -35.02 79.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.8 m -66.56 -41.83 88.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.7 mtt85 -69.02 -41.09 78.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -116.08 106.66 49.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 54.28 3.6 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.464 1.771 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -148.04 18.24 1.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.409 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -83.42 137.11 42.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.588 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.4 Cg_endo -74.96 -22.96 14.35 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.79 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.84 -15.79 45.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.43 ' CA ' ' HB ' ' A' ' 101' ' ' THR . 15.0 p30 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.43 ' HB ' ' CA ' ' A' ' 93' ' ' ASN . 3.5 t -75.38 166.33 23.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -146.31 142.76 28.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.468 ' CD1' HG12 ' A' ' 81' ' ' ILE . 3.6 tp -56.86 -40.86 76.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -63.22 -42.93 99.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -55.07 -45.81 75.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.486 ' CD1' ' CD2' ' A' ' 77' ' ' LEU . 55.6 mt -70.28 -16.09 62.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.88 -14.64 41.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.37 33.68 8.52 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.87 6.62 47.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.492 ' CB ' ' SD ' ' A' ' 113' ' ' MET . . . -58.48 138.17 56.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -56.93 123.26 14.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.07 -14.06 54.79 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.492 ' SD ' ' CB ' ' A' ' 110' ' ' ALA . 15.3 mtt -92.76 -21.5 19.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.79 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 1.7 t -78.22 126.08 38.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.05 -6.67 76.33 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.464 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 4.0 t30 -134.75 107.94 10.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.762 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -61.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 111.016 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -54.4 -50.23 68.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -61.79 -37.39 94.23 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.48 1.112 . . . . 0.0 111.034 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 20.8 tt0 -63.9 -44.48 92.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 0.73 . . . . 0.0 110.241 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.53 -31.57 72.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.351 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.33 -21.79 55.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.83 -27.57 36.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.0 pp -113.29 118.84 35.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.79 165.14 0.23 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 108.9 2.82 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.555 1.819 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.76 -51.29 0.28 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.475 ' HG3' ' CD2' ' A' ' 106' ' ' LEU . 1.1 tt0 -57.1 -33.18 67.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 0.742 . . . . 0.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.99 -38.51 91.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.07 -39.87 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.57 94.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.432 ' CG1' HD23 ' A' ' 106' ' ' LEU . 31.6 mt -69.14 -38.56 78.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.358 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.472 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 87.6 m -65.84 -49.02 69.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.74 91.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 85.4 p -61.78 -33.93 74.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.52 -37.3 86.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.519 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -67.32 -40.07 85.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.453 ' HB3' ' CG ' ' A' ' 76' ' ' GLN . 0.3 OUTLIER -63.64 -40.05 95.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 110.285 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.56 -32.95 74.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.655 ' CZ ' ' CG2' ' A' ' 36' ' ' THR . 1.5 t80 -64.87 -57.07 9.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.474 ' HG3' ' CE ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -53.79 -27.59 30.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -68.17 -39.05 82.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.45 HG22 ' CB ' ' A' ' 68' ' ' LEU . 41.0 t -80.65 -41.52 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.9 -47.76 73.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.252 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 110.265 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' PRO . . . . . 0.405 ' O ' ' N ' ' A' ' 155' ' ' ASP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' TRP . . . . . 0.577 ' CZ3' ' CD1' ' A' ' 180' ' ' LEU . 1.1 p90 -51.18 -33.04 25.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 108.021 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.71 -33.49 75.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 152' ' ' PRO . 89.3 m-20 -80.94 -20.78 41.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.575 HG23 ' CZ ' ' A' ' 167' ' ' PHE . 31.1 mt -82.03 121.15 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.611 ' C ' ' CZ ' ' A' ' 167' ' ' PHE . 24.1 p -124.24 136.79 54.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . 0.583 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 16.9 tp60 -75.24 112.93 12.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -114.17 162.6 12.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -26.19 11.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 80.7 p -71.69 -31.6 66.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.028 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -98.57 136.2 39.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.72 147.12 23.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -66.34 -52.09 50.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.528 ' CG2' ' CG2' ' A' ' 219' ' ' ILE . 1.4 t -65.74 -46.95 87.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -55.69 -47.56 76.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.611 ' CZ ' ' C ' ' A' ' 157' ' ' THR . 64.9 t80 -69.26 -26.54 64.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -66.25 -50.07 65.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -57.38 -41.96 81.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -61.17 -37.13 81.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 0.585 HD11 ' CE2' ' A' ' 167' ' ' PHE . 0.2 OUTLIER -72.45 -48.84 37.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 16.2 mt -57.62 -38.58 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -66.28 -37.67 85.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . 0.412 ' CB ' HD11 ' A' ' 156' ' ' ILE . . . -67.16 -52.9 35.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . . . . . . . . . 54.5 t -58.73 -46.07 90.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -52.53 -33.21 44.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -108.83 26.37 15.98 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 10.0 p -112.66 166.19 11.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 0.799 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -92.15 83.25 5.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.577 ' CD1' ' CZ3' ' A' ' 153' ' ' TRP . 22.2 mt -126.71 154.9 75.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 163.27 35.7 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.476 1.777 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.2 Cg_endo -75.01 81.92 2.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.459 1.768 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 183' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.4 OUTLIER 159.18 -26.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.406 ' C ' ' HD2' ' A' ' 187' ' ' PRO . . . -84.08 -11.3 56.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 -84.11 71.3 10.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.518 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 174.3 -56.95 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 187' ' ' PRO . . . . . 0.518 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -75.01 -26.75 10.6 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.781 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 7.9 t -69.89 -41.08 79.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 189' ' ' ILE . . . . . 0.432 ' CG2' ' HB3' ' A' ' 215' ' ' PRO . 50.5 mt -68.1 -48.28 74.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 190' ' ' ILE . . . . . 0.506 ' HA ' ' CD2' ' A' ' 193' ' ' PHE . 77.1 mt -63.1 -40.11 87.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 191' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 195' ' ' GLN . 9.2 t0 -62.2 -38.95 91.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 192' ' ' CYS . . . . . 0.474 ' CB ' HD12 ' A' ' 171' ' ' LEU . 65.2 m -54.1 -44.18 71.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 108.352 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 193' ' ' PHE . . . . . 0.506 ' CD2' ' HA ' ' A' ' 190' ' ' ILE . 18.0 m-30 -60.02 -38.38 82.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 194' ' ' ARG . . . . . 0.478 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 0.0 OUTLIER -106.1 27.68 8.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 191' ' ' ASP . 1.0 OUTLIER -113.98 -39.09 4.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.235 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.35 63.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 197' ' ' SER . . . . . 0.478 ' HB2' ' CG ' ' A' ' 158' ' ' GLN . 0.4 OUTLIER -148.64 164.54 34.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 198' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 197' ' ' SER . 0.0 OUTLIER -40.95 163.7 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 199' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 203' ' ' GLN . 18.2 Cg_endo -75.04 -32.34 5.41 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.801 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -63.86 -46.39 85.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 19.1 mm -69.51 -45.8 77.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -64.07 -42.4 96.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 199' ' ' PRO . 6.0 tp60 -64.17 -30.36 71.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . 0.513 HD21 ' CZ ' ' A' ' 221' ' ' TYR . 0.2 OUTLIER -70.66 -49.8 43.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.478 ' CG2' ' HB3' ' A' ' 194' ' ' ARG . 0.7 OUTLIER -63.86 -44.04 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.92 -33.8 76.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -92.54 5.59 50.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 208' ' ' ALA . . . . . 0.528 ' HA ' ' CZ ' ' A' ' 221' ' ' TYR . . . -60.42 160.47 17.97 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 209' ' ' PRO . . . . . 0.408 ' HD2' HD11 ' A' ' 212' ' ' LEU . 18.3 Cg_endo -75.01 147.24 33.6 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.65 8.28 14.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.015 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 3.8 t -92.06 -5.26 53.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.437 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 212' ' ' LEU . . . . . 0.514 ' O ' ' CG2' ' A' ' 213' ' ' THR . 2.5 pp -155.07 151.64 28.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 213' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 212' ' ' LEU . 1.6 p -161.22 49.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 214' ' ' THR . . . . . 0.405 ' C ' ' H ' ' A' ' 216' ' ' GLY . 33.4 p -114.59 156.91 44.08 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 215' ' ' PRO . . . . . 0.538 ' O ' ' CG1' ' A' ' 219' ' ' ILE . 18.4 Cg_endo -74.98 10.98 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.48 1.779 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 216' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 214' ' ' THR . . . -116.03 -51.07 0.41 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 217' ' ' GLU . . . . . 0.431 ' OE1' ' CB ' ' A' ' 212' ' ' LEU . 12.4 mt-10 -64.56 -48.7 74.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 218' ' ' ILE . . . . . 0.444 HD11 ' CD1' ' A' ' 212' ' ' LEU . 1.5 mp -54.09 -32.8 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 219' ' ' ILE . . . . . 0.538 ' CG1' ' O ' ' A' ' 215' ' ' PRO . 3.7 mm -62.2 -52.85 55.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.083 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -45.3 89.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.528 ' CZ ' ' HA ' ' A' ' 208' ' ' ALA . 2.3 t80 -56.09 -51.03 69.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 2.4 t -59.87 -51.61 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.474 ' CD1' HG21 ' A' ' 165' ' ' VAL . 91.9 mt -56.71 -35.76 68.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -65.98 -47.26 75.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 225' ' ' ARG . . . . . 0.469 ' CB ' HD22 ' A' ' 204' ' ' LEU . 0.6 OUTLIER -65.62 -32.58 74.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.333 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . 0.431 ' NE2' HD21 ' A' ' 223' ' ' LEU . 60.3 mt-30 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.456 ' O ' ' CG1' ' A' ' 19' ' ' ILE . 10.6 tp10 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -42.12 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.553 1.818 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -48.23 80.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.2 mt -68.6 -46.34 69.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.456 ' CG1' ' O ' ' A' ' 15' ' ' GLU . 46.5 mt -58.28 -38.44 68.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 m -61.3 -40.83 95.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.433 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -66.43 -48.49 69.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' A' ' 39' ' ' GLU . 3.5 tt -61.09 -43.65 98.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.82 -32.41 70.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.425 ' O ' ' CG2' ' A' ' 28' ' ' THR . 0.5 OUTLIER -62.3 -40.35 95.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.517 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -62.69 -38.26 89.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.474 HG11 ' CG2' ' A' ' 36' ' ' THR . 15.2 t -58.81 -46.53 90.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -64.73 -48.34 74.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.248 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.425 ' CG2' ' O ' ' A' ' 24' ' ' ASP . 52.5 p -61.38 -37.82 84.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.381 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 25' ' ' THR . 7.3 mmmt -82.57 -12.69 57.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.57 124.96 4.79 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.466 ' CD1' HG12 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -67.44 -21.98 65.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 0.73 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 mtp85 -89.32 0.36 56.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.69 161.17 45.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.98 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -11.04 21.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.487 1.782 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.53 -29.1 40.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.54 HG23 ' CE1' ' A' ' 140' ' ' PHE . 18.1 m -61.55 -49.14 77.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.554 ' HE2' ' CD1' ' A' ' 140' ' ' PHE . 0.1 OUTLIER -64.33 -34.41 78.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.953 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.44 -52.54 25.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.465 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 3.6 mt-10 -61.4 -45.62 93.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.343 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.47 ' CG1' ' SD ' ' A' ' 44' ' ' MET . 63.0 t -59.55 -47.67 90.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 45' ' ' SER . 9.7 mt-10 -63.25 -23.28 67.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.42 -55.49 20.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.338 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.557 ' CD1' ' CD2' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -72.84 -46.88 50.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.508 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 24.2 mtt -70.76 -10.71 60.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' GLU . 5.4 t -35.93 -34.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.4 OUTLIER -108.92 165.92 11.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.956 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 149.63 37.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.806 . . . . 0.0 111.029 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.489 ' CD1' ' CG2' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -146.55 -179.9 7.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.412 HD22 ' CB ' ' A' ' 121' ' ' ALA . 1.5 mm? -80.67 165.44 45.75 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -35.87 2.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.464 1.771 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.446 ' O ' ' OG1' ' A' ' 54' ' ' THR . 1.3 t-160 -67.96 -40.96 83.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.608 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 0.6 OUTLIER -64.88 -32.38 74.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.498 HG11 ' CH2' ' A' ' 69' ' ' TRP . 2.7 t -58.56 -46.72 89.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.467 ' CG2' ' HE2' ' A' ' 70' ' ' MET . 77.4 p -67.32 -42.7 83.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.402 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.482 ' ND2' ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -63.54 -40.17 96.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.557 ' CD2' ' CD1' ' A' ' 43' ' ' LEU . 7.3 tp -68.37 -51.51 43.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.521 ' HG2' ' CE2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -57.78 -44.09 86.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -55.04 -36.44 65.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.336 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.6 t -68.89 -33.76 60.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.415 1.072 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.9 mt -79.82 -43.95 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.457 HD22 ' CE2' ' A' ' 140' ' ' PHE . 0.1 OUTLIER -120.94 131.15 54.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.517 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -54.1 -166.94 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -24.16 13.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.53 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -69.0 -57.69 7.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.53 ' HD3' ' CB ' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -74.98 2.84 6.17 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.545 1.813 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.43 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 54.8 t80 -72.72 -46.4 53.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.91 -29.19 69.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.7 mp -63.55 -48.87 75.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.793 ' CH2' ' CE3' ' A' ' 73' ' ' TRP . 36.3 t90 -69.75 -39.22 76.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 107.981 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.467 ' HE2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -59.37 -45.03 92.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.36 -46.72 79.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.01 -28.57 67.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.793 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 16.8 t90 -71.6 -40.22 69.98 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.3 -48.1 87.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.4 t -68.11 -47.16 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.451 ' OE1' ' CB ' ' A' ' 138' ' ' GLN . 48.9 mm-40 -54.85 -44.46 73.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mt -59.76 -45.76 91.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -60.09 -34.2 73.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.73 -35.67 78.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.409 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.435 ' O ' ' CB ' ' A' ' 84' ' ' ALA . 2.2 t -71.06 -34.33 54.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.536 ' CD1' ' CG2' ' A' ' 101' ' ' THR . 18.6 mm -68.18 -47.95 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.77 -50.94 54.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.71 -40.67 76.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.535 ' HA ' ' CD2' ' A' ' 90' ' ' HIS . . . -62.66 -35.84 80.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.54 -38.45 65.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.375 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.59 -29.3 62.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -118.7 107.0 43.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 54.51 3.68 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.464 1.771 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -156.58 24.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.535 ' CD2' ' HA ' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -89.28 139.04 28.48 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.604 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -21.42 15.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.461 1.769 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.514 ' CB ' ' CG2' ' A' ' 101' ' ' THR . . . -63.05 -24.45 67.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 90' ' ' HIS . 19.2 p30 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.536 ' CG2' ' CD1' ' A' ' 81' ' ' ILE . 18.9 m -70.36 164.73 23.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.399 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.426 ' CB ' ' HD2' ' A' ' 105' ' ' ARG . 6.7 m120 -142.36 120.93 12.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.88 -30.3 70.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.21 -44.78 82.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.426 ' HD2' ' CB ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -57.69 -47.32 82.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.411 HD22 ' CG1' ' A' ' 132' ' ' ILE . 97.2 mt -70.42 -26.73 63.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -54.91 -48.81 72.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 100.76 5.9 53.14 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.447 1.092 . . . . 0.0 110.97 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -89.04 -0.03 57.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.419 ' HB2' ' NH2' ' A' ' 105' ' ' ARG . . . -58.72 165.3 2.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.73 122.03 18.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.99 -17.7 44.72 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.43 ' SD ' ' CD1' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -68.62 -35.98 78.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 110.999 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -98.41 132.71 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.07 2.01 66.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 71.6 m-80 -155.5 101.67 2.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -61.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.791 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -53.89 -52.73 59.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.87 -33.87 75.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.418 ' NE2' ' HG3' ' A' ' 113' ' ' MET . 24.2 tt0 -66.04 -43.72 86.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.412 ' CB ' HD22 ' A' ' 49' ' ' LEU . . . -65.94 -31.64 72.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.69 -22.02 54.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.43 ' CD1' ' SD ' ' A' ' 113' ' ' MET . 2.0 tt -80.64 -38.0 29.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.407 HD21 ' CE ' ' A' ' 113' ' ' MET . 0.3 OUTLIER -85.63 176.25 8.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.445 ' NH1' ' O ' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -99.01 156.4 35.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.253 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.61 2.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.552 1.817 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 147.63 -38.88 1.05 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -31.97 72.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.3 mt -58.79 -48.34 81.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 22.7 t -59.33 -39.92 80.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.57 -47.08 87.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.411 ' CG1' HD22 ' A' ' 106' ' ' LEU . 21.1 mt -61.64 -38.31 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.469 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 24.2 m -68.4 -39.23 81.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.379 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.45 -48.14 65.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 83.8 p -66.3 -34.07 77.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.28 93.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.508 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -69.99 -36.88 75.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . 0.451 ' CB ' ' OE1' ' A' ' 76' ' ' GLN . 3.6 mt-30 -67.49 -31.47 71.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.344 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -73.28 -34.96 66.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.554 ' CD1' ' HE2' ' A' ' 37' ' ' MET . 6.6 t80 -67.25 -55.16 15.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -59.1 -24.86 63.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -66.34 -42.93 87.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 25.6 t -70.63 -42.72 77.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -67.73 -21.18 65.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' PRO . . . . . 0.571 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.996 -0.424 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' TRP . . . . . 0.573 ' CH2' HD13 ' A' ' 180' ' ' LEU . 29.6 p90 -100.98 -20.36 15.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 107.991 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.5 -33.15 70.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -83.14 -22.13 33.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.575 HG21 ' CE1' ' A' ' 167' ' ' PHE . 67.7 mt -76.0 120.88 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.602 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 5.8 m -130.88 143.64 50.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . 0.562 ' HG2' ' CD2' ' A' ' 167' ' ' PHE . 0.0 OUTLIER -85.84 120.62 27.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.249 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -115.53 166.76 12.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.25 18.87 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.802 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.59 -34.99 53.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -100.48 135.25 42.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.256 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.82 147.23 28.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.85 -51.68 66.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.449 ' CG2' HG22 ' A' ' 219' ' ' ILE . 0.5 OUTLIER -62.37 -43.2 97.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -58.22 -47.7 82.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.602 ' CE1' ' C ' ' A' ' 157' ' ' THR . 59.1 t80 -64.49 -42.13 96.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.412 ' HB1' ' CZ ' ' A' ' 193' ' ' PHE . . . -55.46 -39.72 70.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -61.75 -47.18 86.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 29.1 mmt85 -59.24 -41.19 88.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 0.568 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.5 OUTLIER -66.89 -46.74 73.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 13.0 mt -58.62 -43.34 87.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -61.46 -38.79 88.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -67.46 -51.2 54.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . . . . . . . . . 24.5 t -57.21 -39.19 65.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.439 ' OE1' ' NH2' ' A' ' 185' ' ' ARG . 0.0 OUTLIER -64.96 -56.22 14.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -50.59 -33.09 25.36 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 41.9 p -73.72 166.04 24.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -102.7 54.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.573 HD13 ' CH2' ' A' ' 153' ' ' TRP . 10.9 mt -69.02 160.08 80.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 163.86 34.59 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 182' ' ' PRO . . . . . 0.41 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.3 Cg_endo -75.04 76.73 3.33 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 183' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.4 OUTLIER 165.22 -30.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.403 ' C ' ' HD2' ' A' ' 187' ' ' PRO . . . -85.71 -11.26 54.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . 0.439 ' NH2' ' OE1' ' A' ' 176' ' ' GLU . 47.5 mtp180 -87.04 67.49 9.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.487 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 171.57 -55.8 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 187' ' ' PRO . . . . . 0.487 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -75.03 -30.38 7.18 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.768 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.13 -38.22 81.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 189' ' ' ILE . . . . . 0.43 HG22 ' CZ ' ' A' ' 193' ' ' PHE . 22.0 mt -68.11 -48.02 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 190' ' ' ILE . . . . . 0.53 ' CD1' ' C ' ' A' ' 213' ' ' THR . 55.7 mt -68.13 -34.94 69.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 191' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 187' ' ' PRO . 16.2 t0 -58.23 -43.51 87.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 21.4 m -59.9 -48.62 80.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 108.253 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 193' ' ' PHE . . . . . 0.43 ' CZ ' HG22 ' A' ' 189' ' ' ILE . 10.6 m-30 -53.69 -40.71 66.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -94.49 10.07 36.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -88.73 -44.08 10.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 196' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 197' ' ' SER . 4.7 ttmt -139.12 -90.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 197' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 196' ' ' LYS . 1.8 m 37.8 -156.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.024 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -96.2 169.91 8.31 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 199' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' A' ' 203' ' ' GLN . 18.4 Cg_endo -74.97 -36.07 2.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 200' ' ' ASP . . . . . 0.468 ' CG ' ' N ' ' A' ' 201' ' ' ILE . 3.4 p-10 -65.06 -50.12 67.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.468 ' N ' ' CG ' ' A' ' 200' ' ' ASP . 32.5 mm -68.42 -40.95 83.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -66.94 -40.14 87.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.326 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . 0.435 ' O ' ' NE2' ' A' ' 203' ' ' GLN . 36.3 tp60 -65.3 -31.71 72.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 225' ' ' ARG . 0.6 OUTLIER -70.26 -49.93 44.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.467 HG13 ' CG2' ' A' ' 222' ' ' VAL . 6.2 mt -64.34 -37.49 80.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 14.8 mtt-85 -63.57 -33.59 75.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -87.94 2.96 50.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 208' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 205' ' ' ILE . . . -60.01 155.07 46.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 155.15 43.1 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.71 26.34 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 3.3 t -111.27 -7.49 14.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.545 1.153 . . . . 0.0 110.454 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 212' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.22 167.0 23.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 213' ' ' THR . . . . . 0.53 ' C ' ' CD1' ' A' ' 190' ' ' ILE . 0.4 OUTLIER 176.76 43.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 214' ' ' THR . . . . . 0.43 ' C ' HD12 ' A' ' 190' ' ' ILE . 69.5 p -117.43 156.24 49.31 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.415 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 54.39 3.65 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.5 1.789 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -156.4 -58.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 217' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 221' ' ' TYR . 1.7 mp0 -74.98 -29.27 60.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 0.744 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 218' ' ' ILE . . . . . 0.511 ' CD1' ' HA ' ' A' ' 213' ' ' THR . 1.3 mp -66.1 -46.74 87.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 219' ' ' ILE . . . . . 0.449 HG22 ' CG2' ' A' ' 165' ' ' VAL . 4.1 mt -70.05 -50.56 46.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 220' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 221' ' ' TYR . 0.0 OUTLIER -55.53 -39.88 71.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.437 ' CB ' ' O ' ' A' ' 217' ' ' GLU . 8.4 t80 -63.93 -50.59 68.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . 0.467 ' CG2' HG13 ' A' ' 205' ' ' ILE . 12.2 t -60.51 -43.87 95.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 36.1 mt -62.4 -40.6 97.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -62.95 -49.99 72.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 225' ' ' ARG . . . . . 0.481 ' HB3' ' CD1' ' A' ' 204' ' ' LEU . 3.9 tpt180 -60.48 -39.88 89.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -26.59 10.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.494 1.786 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 18' ' ' LEU . 9.7 pttt -57.42 -49.93 74.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' N ' ' CG ' ' A' ' 17' ' ' LYS . 27.9 mt -63.7 -37.09 86.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.486 HG23 ' CD1' ' A' ' 56' ' ' LEU . 18.1 mt -65.29 -37.08 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.401 ' O ' ' CG ' ' A' ' 24' ' ' ASP . 26.1 m -60.04 -37.64 80.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.372 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -48.3 74.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.474 HD23 ' CG ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER -66.5 -40.4 89.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.24 -33.88 77.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 20' ' ' THR . 94.2 m-20 -62.16 -42.71 99.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.498 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.2 m -60.98 -37.93 84.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.395 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.457 HG11 ' CG2' ' A' ' 36' ' ' THR . 63.5 t -62.05 -41.88 92.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -62.74 -48.35 79.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 p -70.37 -29.33 65.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 25' ' ' THR . 20.8 mmtt -85.67 -13.86 47.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 97.05 119.02 3.74 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.41 HD22 ' CZ ' ' A' ' 140' ' ' PHE . 0.1 OUTLIER -64.94 -27.96 69.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 0.738 . . . . 0.0 109.328 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.19 -0.25 57.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.01 169.15 15.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.974 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -30.96 6.61 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.472 ' CG2' ' CB ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -53.06 -22.81 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.56 HG22 ' CE1' ' A' ' 140' ' ' PHE . 50.3 m -65.54 -49.41 69.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 28.0 mmt -64.45 -35.69 81.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.23 -52.02 38.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.474 ' CG ' HD23 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -61.17 -47.43 86.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.438 ' CG1' ' SD ' ' A' ' 44' ' ' MET . 53.0 t -60.56 -44.7 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.252 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 45' ' ' SER . 34.6 mt-10 -67.34 -24.35 65.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.32 -55.08 31.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.478 ' CD1' ' CD2' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -72.87 -46.62 51.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.357 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.511 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 27.3 mtt -68.67 -11.25 59.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 41' ' ' GLU . 7.3 t -37.92 -31.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -108.82 165.83 11.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.983 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.86 34.56 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.31 172.73 14.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.91 165.18 56.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -31.48 6.09 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -41.29 82.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.616 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -63.76 -32.65 74.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.2 t -59.24 -44.93 93.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.475 ' CG2' ' HE1' ' A' ' 70' ' ' MET . 29.3 p -66.57 -46.64 75.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.417 ' ND2' ' C ' ' A' ' 55' ' ' ASN . 0.1 OUTLIER -63.47 -34.08 76.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.486 ' CD1' HG23 ' A' ' 19' ' ' ILE . 11.0 tp -71.82 -53.72 12.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.462 ' HE2' ' CE ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -57.33 -46.09 83.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 61' ' ' LEU . 30.4 ttt180 -56.91 -36.02 69.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.4 t -71.13 -35.58 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.6 mt -77.65 -43.87 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -124.75 137.95 54.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.457 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -48.57 178.97 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.488 1.118 . . . . 0.0 111.027 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -18.83 18.37 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.43 1.752 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.577 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -69.25 -60.21 4.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.577 ' HD3' ' CB ' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.98 -1.3 11.04 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.454 1.765 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.544 ' CZ ' ' SD ' ' A' ' 70' ' ' MET . 34.5 t80 -78.09 -42.01 33.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.26 90.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.476 ' CB ' HG22 ' A' ' 143' ' ' VAL . 6.0 mp -62.05 -37.34 84.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.667 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 16.0 t90 -67.97 -35.76 78.91 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.544 ' SD ' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -63.55 -44.26 94.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.85 -43.71 98.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.29 -31.34 64.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.667 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 20.4 t90 -65.9 -47.31 75.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 108.015 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.88 -44.01 92.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.3 t -68.02 -44.19 84.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 0.77 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -58.49 -46.23 87.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.447 HD22 ' CD1' ' A' ' 106' ' ' LEU . 2.7 mt -57.55 -47.04 83.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.465 ' HG3' ' CD2' ' A' ' 103' ' ' LEU . 42.7 mt-30 -58.66 -30.26 67.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.517 ' O ' ' CB ' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -65.66 -35.25 80.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.384 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.425 ' N ' HG23 ' A' ' 79' ' ' THR . 0.9 OUTLIER -71.14 -44.13 74.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.93 -49.27 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.4 ' O ' ' CG ' ' A' ' 86' ' ' ARG . . . -65.94 -33.75 76.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 79' ' ' THR . . . -67.61 -44.89 76.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.479 ' HB1' ' CB ' ' A' ' 90' ' ' HIS . . . -65.57 -51.05 62.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.428 ' CB ' ' HD2' ' A' ' 100' ' ' ARG . 1.2 t -62.29 -30.52 71.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.363 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 82' ' ' ALA . 0.9 OUTLIER -75.78 -39.38 57.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.297 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 87' ' ' ASP . 3.1 p30 -134.33 119.0 14.07 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 55.12 3.88 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -134.74 15.86 3.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.518 ' CB ' ' OD1' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -91.44 138.95 25.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.643 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -22.0 15.23 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.487 1.783 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.37 -13.11 59.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.518 ' OD1' ' CB ' ' A' ' 90' ' ' HIS . 1.1 p-10 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.428 ' HD2' ' CB ' ' A' ' 85' ' ' THR . 20.3 ttp180 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.5 t -70.51 170.33 12.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.409 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -155.6 152.19 28.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.465 ' CD2' ' HG3' ' A' ' 78' ' ' GLN . 1.4 tp -55.82 -43.06 76.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -62.87 -43.08 99.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -59.71 -46.81 87.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.333 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.447 ' CD1' HD22 ' A' ' 77' ' ' LEU . 31.0 mt -72.68 -15.99 61.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -78.5 -42.02 30.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 102.16 25.6 7.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.463 HD13 ' CG1' ' A' ' 114' ' ' VAL . 17.2 tp -98.99 5.3 47.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.32 157.01 14.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -56.48 124.47 18.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.99 2.28 71.07 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.542 1.151 . . . . 0.0 110.962 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.461 ' CG ' ' HG3' ' A' ' 120' ' ' GLN . 30.4 ttm -101.72 -9.47 20.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.764 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.463 ' CG1' HD13 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -92.08 123.16 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 86.45 3.05 84.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.482 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 12.2 t-20 -124.52 103.44 31.93 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -71.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -53.92 -47.21 71.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.01 -36.52 88.74 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.482 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 28.9 tt0 -65.49 -43.59 89.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 0.762 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.56 80.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.92 -17.72 58.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.414 ' HB3' ' CE ' ' A' ' 113' ' ' MET . 1.0 OUTLIER -83.42 -36.9 23.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.437 HD11 ' CG ' ' A' ' 120' ' ' GLN . 0.2 OUTLIER -87.76 132.94 33.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.41 157.17 3.62 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 109.11 2.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.1 -37.19 1.26 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -33.52 70.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.9 -44.04 94.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 41.6 t -59.8 -39.87 81.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.74 78.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 50.2 mt -67.32 -40.32 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.475 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 3.7 m -63.4 -49.12 75.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.429 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.33 -47.49 85.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 56.7 m -61.49 -34.02 74.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.976 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.49 -42.93 91.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.511 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -66.42 -35.23 79.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -36.57 81.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.428 1.08 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.37 -32.05 71.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 109.235 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.56 ' CE1' HG22 ' A' ' 36' ' ' THR . 22.0 t80 -64.41 -62.27 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -52.87 -25.29 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.56 -40.03 77.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.476 HG22 ' CB ' ' A' ' 68' ' ' LEU . 13.6 t -74.17 -41.07 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.46 -46.78 87.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' PRO . . . . . 0.432 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' TRP . . . . . 0.44 ' CH2' ' CD1' ' A' ' 180' ' ' LEU . 16.5 p90 -51.01 -29.09 11.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 108.0 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -56.75 -32.85 65.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.52 -20.76 39.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.57 HG21 ' CE2' ' A' ' 167' ' ' PHE . 12.1 mt -80.29 120.34 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.597 ' C ' ' CE2' ' A' ' 167' ' ' PHE . 20.7 m -131.76 125.19 31.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . 0.652 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 0.0 OUTLIER -62.83 129.71 41.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.314 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . 0.418 ' O ' ' NE2' ' A' ' 158' ' ' GLN . . . -107.23 154.24 16.66 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 111.025 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -18.09 19.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 15.4 p -90.73 -20.03 22.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -104.48 135.39 45.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.328 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 35.7 t -57.58 133.35 55.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -61.4 -33.02 72.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.443 ' CG2' HD12 ' A' ' 223' ' ' LEU . 1.5 t -70.88 -52.96 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -56.28 -48.94 75.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.652 ' CZ ' ' N ' ' A' ' 158' ' ' GLN . 15.5 t80 -64.7 -33.71 76.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.432 ' O ' HG12 ' A' ' 172' ' ' ILE . . . -60.57 -50.24 74.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . 0.572 ' HA ' HG12 ' A' ' 172' ' ' ILE . 50.0 m-80 -52.5 -42.12 64.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -57.74 -37.6 73.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 0.423 HD22 ' CB ' ' A' ' 153' ' ' TRP . 0.3 OUTLIER -67.57 -32.66 73.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . 0.572 HG12 ' HA ' ' A' ' 169' ' ' ASN . 1.5 mm -68.2 -48.59 73.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -62.15 -36.63 82.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . 0.421 ' CB ' HD13 ' A' ' 156' ' ' ILE . . . -68.52 -52.48 31.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . 0.425 HG21 ' CG1' ' A' ' 189' ' ' ILE . 41.6 t -57.04 -45.73 84.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.91 -54.35 48.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -44.53 -34.62 3.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.115 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 3.5 p -77.46 166.06 23.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 110.013 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -103.07 56.47 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.44 ' CD1' ' CH2' ' A' ' 153' ' ' TRP . 14.8 mt -69.02 159.06 84.66 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 165.67 30.82 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.428 1.752 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 182' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.1 Cg_endo -75.05 80.42 2.45 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 183' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.5 OUTLIER 159.74 -27.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.527 1.142 . . . . 0.0 109.962 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -84.07 -12.73 54.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -87.9 70.53 9.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.497 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 171.54 -56.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 187' ' ' PRO . . . . . 0.497 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -74.96 -37.04 2.23 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 89.0 t -58.14 -41.14 79.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 189' ' ' ILE . . . . . 0.434 HG23 ' CD1' ' A' ' 172' ' ' ILE . 14.3 mt -63.92 -48.18 87.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 190' ' ' ILE . . . . . 0.469 ' CD1' ' C ' ' A' ' 213' ' ' THR . 47.7 mt -65.68 -37.35 79.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 191' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 195' ' ' GLN . 0.3 OUTLIER -61.69 -42.58 99.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 1.9 m -53.57 -47.78 69.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 108.306 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 193' ' ' PHE . . . . . 0.411 ' HB2' ' O ' ' A' ' 190' ' ' ILE . 17.1 m-30 -55.75 -28.07 54.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 194' ' ' ARG . . . . . 0.511 ' CD ' ' O ' ' A' ' 194' ' ' ARG . 1.1 ppt_? -120.77 30.34 6.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 191' ' ' ASP . 0.5 OUTLIER -115.63 -56.5 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 196' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 197' ' ' SER . 0.1 OUTLIER -118.03 -43.19 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 197' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 196' ' ' LYS . 0.9 OUTLIER -37.04 155.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 198' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 197' ' ' SER . 1.7 mp0 -41.99 165.06 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -33.61 4.47 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -59.54 -50.36 74.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 8.1 mm -70.2 -41.61 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 202' ' ' GLN . . . . . 0.404 ' OE1' ' C ' ' A' ' 194' ' ' ARG . 3.8 tt0 -61.65 -44.51 96.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -59.97 -30.98 69.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . 0.581 ' CD2' ' CE2' ' A' ' 221' ' ' TYR . 0.5 OUTLIER -67.7 -46.67 71.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.499 ' CG2' ' HB3' ' A' ' 194' ' ' ARG . 1.5 mp -65.86 -44.84 92.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -33.88 76.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.34 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -92.93 5.2 52.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 208' ' ' ALA . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 221' ' ' TYR . . . -67.37 158.53 81.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 209' ' ' PRO . . . . . 0.57 ' HD3' ' CE1' ' A' ' 221' ' ' TYR . 18.2 Cg_endo -75.01 154.06 42.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.5 6.74 22.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 211' ' ' THR . . . . . 0.482 ' O ' ' CG2' ' A' ' 211' ' ' THR . 1.0 OUTLIER -92.97 4.55 53.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 212' ' ' LEU . . . . . 0.47 HD13 ' CD1' ' A' ' 218' ' ' ILE . 1.7 pp -154.27 121.37 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 213' ' ' THR . . . . . 0.469 ' C ' ' CD1' ' A' ' 190' ' ' ILE . 1.2 p -140.78 35.84 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.353 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 214' ' ' THR . . . . . 0.445 ' N ' HD12 ' A' ' 190' ' ' ILE . 3.3 p -121.97 157.72 56.92 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.366 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 57.81 4.69 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -160.83 -52.59 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -74.67 -39.23 62.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 218' ' ' ILE . . . . . 0.47 ' CD1' HD13 ' A' ' 212' ' ' LEU . 15.5 mm -58.58 -37.28 64.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 219' ' ' ILE . . . . . . . . . . . . . 15.1 mt -71.94 -50.79 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 220' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 221' ' ' TYR . 0.0 OUTLIER -56.38 -33.32 65.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.581 ' CE2' ' CD2' ' A' ' 204' ' ' LEU . 1.3 t80 -74.76 -46.91 34.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 8.6 t -60.68 -51.27 75.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.443 HD12 ' CG2' ' A' ' 165' ' ' VAL . 67.4 mt -59.85 -36.03 76.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -71.48 -24.34 61.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 225' ' ' ARG . . . . . 0.471 ' CG ' HD23 ' A' ' 204' ' ' LEU . 2.1 ttm180 -92.32 -10.44 38.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . 0.422 ' NE2' HD23 ' A' ' 223' ' ' LEU . 38.4 mt-30 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -41.64 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 111.025 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 27.7 pttt -64.43 -47.23 79.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.408 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 15.4 mt -59.16 -37.05 76.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.451 HG21 ' CD1' ' A' ' 56' ' ' LEU . 4.5 mt -65.87 -37.26 79.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.5 m -61.34 -40.6 94.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.415 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -61.34 -48.55 80.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.465 ' CD2' ' HG2' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -66.41 -36.52 83.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.96 76.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.02 -45.47 85.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.453 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.7 m -59.04 -39.24 81.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.1 t -59.01 -45.79 92.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -66.75 -48.63 68.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.0 p -68.35 -18.81 64.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.431 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 25' ' ' THR . 25.9 mmtt -95.18 -14.55 24.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.51 126.49 4.66 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -67.83 -40.01 83.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -88.33 2.52 52.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.349 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 1.4 t -93.47 155.54 40.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.036 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -74.94 102.83 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.497 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 0.2 OUTLIER 164.39 -30.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.6 m -59.2 -48.28 82.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.434 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.93 -36.91 85.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 111.057 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.6 -52.2 41.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.465 ' HG2' ' CD2' ' A' ' 22' ' ' LEU . 2.5 mt-10 -60.17 -46.31 90.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 44' ' ' MET . 55.5 t -62.77 -41.09 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.462 ' HG3' ' CD2' ' A' ' 137' ' ' LEU . 12.5 mt-10 -68.26 -25.09 64.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.01 -54.23 33.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.472 ' CD1' HD22 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -72.14 -46.0 58.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.484 ' HB3' ' CG2' ' A' ' 133' ' ' THR . 0.8 OUTLIER -71.38 -10.86 60.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 41' ' ' GLU . 51.4 p -37.16 -32.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' MET . 1.3 p -106.25 165.42 13.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.994 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 118.99 5.47 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.493 ' CD1' ' CG2' ' A' ' 53' ' ' VAL . 0.4 OUTLIER -108.13 -176.75 3.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.86 164.37 34.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.411 ' O ' ' HB ' ' A' ' 53' ' ' VAL . 18.4 Cg_endo -74.95 -41.89 0.6 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.412 ' O ' ' OG1' ' A' ' 54' ' ' THR . 1.8 p80 -68.16 -40.93 82.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.583 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.9 -34.61 78.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.576 HG12 ' CH2' ' A' ' 69' ' ' TRP . 4.9 t -54.88 -46.14 75.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.457 ' HB ' ' CE ' ' A' ' 70' ' ' MET . 27.1 p -66.52 -39.88 88.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -65.19 -40.23 93.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.472 HD22 ' CD1' ' A' ' 43' ' ' LEU . 12.2 tp -69.84 -52.11 27.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.45 ' HE3' ' CE ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -56.84 -44.51 82.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 111.005 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' A' ' 61' ' ' LEU . 50.7 ttt85 -56.4 -36.63 69.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.152 . . . . 0.0 110.304 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.2 t -75.49 -34.88 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.8 mt -73.43 -44.17 54.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.561 HD22 ' CE1' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -122.58 136.31 54.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.433 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -50.0 -176.15 0.02 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -19.88 17.56 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.457 1.767 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.57 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -71.01 -60.22 2.98 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.57 ' HD3' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.98 -0.25 9.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.557 ' CZ ' ' SD ' ' A' ' 70' ' ' MET . 3.1 t80 -77.5 -42.82 34.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.83 -29.66 70.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.419 ' HB3' ' CG2' ' A' ' 143' ' ' VAL . 7.8 mp -67.51 -41.39 84.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.727 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 22.9 t90 -68.15 -38.78 82.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.031 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.557 ' SD ' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -60.65 -43.74 97.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -65.63 -43.38 89.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.48 -30.66 67.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.727 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 11.9 t90 -68.14 -40.62 82.38 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.85 -45.7 95.35 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.2 t -68.0 -46.89 80.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 0.744 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -56.44 -46.29 80.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.318 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.407 ' CD2' ' CD1' ' A' ' 106' ' ' LEU . 2.7 mt -61.78 -38.67 88.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.463 ' HG3' ' CD2' ' A' ' 103' ' ' LEU . 25.1 mt-30 -67.85 -29.9 69.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.478 ' O ' ' CB ' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -65.72 -35.55 81.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.435 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.1 t -71.57 -50.96 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.469 HG13 ' CG2' ' A' ' 101' ' ' THR . 0.9 OUTLIER -59.41 -49.42 83.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.18 -43.8 97.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 79' ' ' THR . . . -56.66 -47.32 80.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.452 ' CB ' ' HB2' ' A' ' 90' ' ' HIS . . . -65.95 -41.42 91.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.2 m -59.77 -36.67 77.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -74.57 -33.09 62.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 110.261 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.446 ' HB2' ' CD ' ' A' ' 89' ' ' ARG . 0.6 OUTLIER -135.01 114.93 11.9 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 55.49 3.92 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.787 . . . . 0.0 111.023 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.446 ' CD ' ' HB2' ' A' ' 87' ' ' ASP . 10.7 ptt85 -138.49 16.15 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.241 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.452 ' HB2' ' CB ' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -92.07 139.67 24.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.579 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -19.64 17.72 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.464 1.771 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.461 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -59.37 -26.83 65.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 90' ' ' HIS . 29.6 p30 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.4 tpp85 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.469 ' CG2' HG13 ' A' ' 81' ' ' ILE . 1.8 t -72.61 170.14 15.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.396 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -157.31 154.43 29.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.463 ' CD2' ' HG3' ' A' ' 78' ' ' GLN . 2.4 mp -63.66 -34.42 77.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.112 . . . . 0.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.43 -38.79 92.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -61.19 -47.04 87.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.407 ' CD1' ' CD2' ' A' ' 77' ' ' LEU . 31.5 mt -70.61 -31.72 68.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.94 -65.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.2 -6.44 5.68 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.92 5.21 22.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.421 ' CB ' ' SD ' ' A' ' 113' ' ' MET . . . -59.89 163.87 4.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -70.64 133.32 46.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.157 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 79.93 -3.56 69.83 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.47 ' HE1' ' CD2' ' A' ' 124' ' ' LEU . 90.1 mtp -103.02 -24.72 13.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 0.758 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 1.5 t -80.2 124.71 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.45 -1.11 68.92 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -137.18 98.69 10.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.422 0.719 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.4 ' O ' ' HG2' ' A' ' 120' ' ' GLN . 18.6 Cg_endo -74.95 -46.34 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.487 1.783 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -76.99 -28.79 55.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -75.97 -42.8 23.94 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.482 1.113 . . . . 0.0 111.024 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 121' ' ' ALA . 18.5 pt20 -66.07 -40.98 91.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 0.72 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.429 ' N ' ' HG3' ' A' ' 120' ' ' GLN . . . -61.18 -41.01 96.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.23 -14.91 59.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.366 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.436 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -82.4 -35.42 27.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.59 ' O ' ' CG ' ' A' ' 125' ' ' ARG . 5.0 mt -75.5 -16.89 60.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.59 ' CG ' ' O ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER 81.44 158.16 0.12 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.434 ' N ' ' HD3' ' A' ' 125' ' ' ARG . 18.3 Cg_endo -74.99 107.78 2.57 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 142.76 -37.41 1.53 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.461 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 4.5 mt-10 -65.78 -38.79 89.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.741 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.84 -40.35 94.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.8 t -59.29 -39.67 79.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.68 -39.74 81.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.251 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 28.6 mt -69.07 -38.59 78.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.484 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 4.5 m -65.52 -48.4 72.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.375 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.76 -45.73 91.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.0 m -64.24 -35.88 82.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.13 85.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.462 ' CD2' ' HG3' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -68.14 -33.03 73.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -71.68 -43.32 66.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.86 -33.04 73.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.561 ' CE1' HD22 ' A' ' 61' ' ' LEU . 6.8 t80 -66.49 -58.52 5.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -53.46 -25.14 15.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.71 -42.16 70.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.419 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 3.3 t -67.82 -42.87 86.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -65.55 -47.24 76.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' PRO . . . . . 0.553 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.913 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' TRP . . . . . 0.553 ' CE3' ' HD2' ' A' ' 152' ' ' PRO . 44.9 p90 -58.12 -24.42 58.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 107.961 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.15 -32.69 74.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.73 -19.88 47.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.467 HD13 ' CB ' ' A' ' 174' ' ' ALA . 8.3 mt -87.02 120.75 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.6 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 3.3 p -130.99 132.04 44.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.383 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . 0.648 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 48.6 tp60 -64.69 130.13 42.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -125.17 162.82 19.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -27.32 10.09 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.794 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 4.3 t -69.79 -27.77 65.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -107.67 135.59 48.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.445 ' CB ' ' HB2' ' A' ' 166' ' ' ASP . 0.1 OUTLIER -57.47 142.65 43.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.933 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -56.0 -52.15 65.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.416 ' O ' ' ND2' ' A' ' 169' ' ' ASN . 0.6 OUTLIER -67.43 -38.22 80.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.445 ' HB2' ' CB ' ' A' ' 163' ' ' SER . 0.7 OUTLIER -60.67 -48.36 82.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.648 ' CZ ' ' N ' ' A' ' 158' ' ' GLN . 60.1 t80 -65.96 -39.88 90.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 193' ' ' PHE . . . -56.51 -39.11 72.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 165' ' ' VAL . 41.2 m-80 -62.15 -49.84 74.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -58.64 -37.84 76.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 0.45 HD11 ' CE2' ' A' ' 167' ' ' PHE . 3.7 tt -70.12 -45.19 67.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 17.2 mt -60.29 -41.02 85.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -63.12 -36.81 84.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . 0.467 ' CB ' HD13 ' A' ' 156' ' ' ILE . . . -68.9 -52.26 31.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . 0.417 HG22 ' CD2' ' A' ' 171' ' ' LEU . 46.3 t -57.23 -48.06 83.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -53.66 -38.51 64.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -99.84 32.42 7.27 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 15.7 p -119.78 166.14 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 0.788 . . . . 0.0 109.992 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -89.38 83.27 6.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.516 ' CD1' ' CZ3' ' A' ' 153' ' ' TRP . 15.8 mt -128.2 158.88 69.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 160.93 39.51 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.547 1.814 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 182' ' ' PRO . . . . . 0.427 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.4 Cg_endo -74.95 78.05 2.97 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.473 1.775 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 183' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 1.0 OUTLIER 164.96 -33.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.43 ' C ' ' HD2' ' A' ' 187' ' ' PRO . . . -78.65 -10.63 59.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' ' 185' ' ' ARG . 30.0 mtm105 -83.19 69.12 9.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.507 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 175.2 -56.98 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 187' ' ' PRO . . . . . 0.507 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.4 Cg_endo -74.96 -26.5 10.93 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 79.6 t -69.62 -37.59 74.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 7.7 mt -68.1 -47.28 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 190' ' ' ILE . . . . . 0.506 ' CD1' ' C ' ' A' ' 213' ' ' THR . 74.9 mt -66.3 -35.25 74.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -59.6 -37.63 79.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 17.6 m -64.94 -46.26 82.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 108.305 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 193' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 168' ' ' ALA . 11.6 m-30 -54.02 -38.42 65.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 194' ' ' ARG . . . . . 0.446 ' CA ' ' OE1' ' A' ' 202' ' ' GLN . 9.4 ptt180 -95.83 7.03 47.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -86.19 -40.94 15.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.265 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 196' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 197' ' ' SER . 5.4 mtpp -139.84 -89.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 197' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 196' ' ' LYS . 2.0 m 38.7 -158.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 198' ' ' GLN . . . . . 0.456 ' O ' ' CB ' ' A' ' 202' ' ' GLN . 2.6 mp0 -94.04 171.5 6.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -38.55 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.522 1.801 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -64.4 -50.26 68.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 33.1 mm -68.38 -35.7 71.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 202' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 198' ' ' GLN . 0.7 OUTLIER -70.07 -42.87 72.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -62.87 -32.05 73.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . 0.476 HD22 ' CE2' ' A' ' 221' ' ' TYR . 0.4 OUTLIER -70.53 -49.35 49.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.438 ' CG2' ' HB3' ' A' ' 194' ' ' ARG . 3.5 mt -63.02 -39.07 83.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.98 -33.88 76.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -89.22 2.88 53.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 208' ' ' ALA . . . . . . . . . . . . . . . -68.11 154.78 93.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 151.0 38.77 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.77 15.29 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.24 -8.66 38.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.16 . . . . 0.0 110.417 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 212' ' ' LEU . . . . . 0.507 ' O ' ' CG2' ' A' ' 213' ' ' THR . 0.2 OUTLIER -139.08 148.74 43.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 213' ' ' THR . . . . . 0.507 ' CG2' ' O ' ' A' ' 212' ' ' LEU . 1.3 p -161.54 46.95 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.378 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 214' ' ' THR . . . . . 0.566 ' CG2' ' HD2' ' A' ' 215' ' ' PRO . 1.3 m -122.55 150.83 58.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.4 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 215' ' ' PRO . . . . . 0.566 ' HD2' ' CG2' ' A' ' 214' ' ' THR . 18.0 Cg_endo -74.99 52.65 3.11 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.784 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -150.02 -60.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -75.72 -34.03 60.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 218' ' ' ILE . . . . . 0.466 HD12 ' CD1' ' A' ' 212' ' ' LEU . 1.2 mp -59.51 -46.62 92.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 219' ' ' ILE . . . . . . . . . . . . . 2.6 mt -72.34 -43.44 64.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -32.81 69.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.476 ' CE2' HD22 ' A' ' 204' ' ' LEU . 3.5 t80 -74.43 -50.64 17.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . 0.488 ' CG1' ' OE1' ' A' ' 226' ' ' GLN . 24.1 t -60.36 -40.93 85.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 31.2 mt -68.45 -43.33 77.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -64.58 -21.93 66.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 225' ' ' ARG . . . . . 0.466 ' HG3' ' CD2' ' A' ' 204' ' ' LEU . 0.0 OUTLIER -83.22 -44.94 14.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.341 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . 0.488 ' OE1' ' CG1' ' A' ' 222' ' ' VAL . 6.3 mt-30 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.411 ' HG3' ' CG ' ' A' ' 18' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 20' ' ' THR . 18.4 Cg_endo -75.02 -25.22 12.03 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 62.4 pttt -57.66 -45.96 84.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.411 ' CG ' ' HG3' ' A' ' 15' ' ' GLU . 16.1 mt -63.16 -47.93 80.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.523 ' CG2' ' CD1' ' A' ' 56' ' ' LEU . 10.3 mt -63.57 -36.83 77.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 16' ' ' PRO . 35.5 m -60.21 -37.86 81.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 110.37 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -64.25 -48.57 75.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.436 ' CD2' ' HG3' ' A' ' 39' ' ' GLU . 1.8 mt -66.03 -40.02 90.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.355 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.476 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -65.72 -33.11 75.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -37.74 85.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -67.07 -37.37 83.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.425 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 30' ' ' GLY . 91.5 t -58.01 -46.43 87.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -48.87 79.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 64.8 p -65.91 -32.6 74.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.435 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.448 ' CB ' HG21 ' A' ' 35' ' ' ILE . 10.4 mmtt -84.84 -13.36 51.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 89.21 123.95 2.37 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.132 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -31.22 71.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.763 . . . . 0.0 109.329 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -93.37 2.16 56.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.73 161.25 25.64 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 35' ' ' ILE . 18.1 Cg_endo -75.01 106.41 2.27 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.498 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 0.2 OUTLIER 163.94 -29.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.424 HG23 ' CE1' ' A' ' 140' ' ' PHE . 81.4 m -58.59 -48.77 79.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.375 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -33.22 75.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.27 -52.22 24.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.436 ' HG3' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -61.13 -47.16 87.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.512 ' CG1' ' SD ' ' A' ' 44' ' ' MET . 64.7 t -59.81 -46.75 93.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.468 ' HG3' ' CD2' ' A' ' 137' ' ' LEU . 33.3 mt-10 -59.74 -24.27 63.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.41 -55.78 12.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.543 ' CD1' ' CD2' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -71.7 -43.64 65.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.515 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 29.2 mtt -74.25 -10.82 59.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 44' ' ' MET . 11.6 t -35.75 -41.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.932 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p -101.29 165.16 14.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.0 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 149.62 36.73 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.467 HD13 ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -148.77 174.04 12.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 117' ' ' PRO . 16.0 mt -80.19 161.56 64.86 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -26.36 11.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.52 1.8 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -67.63 -50.28 58.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.604 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -63.65 -32.33 73.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.494 HG13 ' CH2' ' A' ' 69' ' ' TRP . 6.9 t -53.95 -46.38 64.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.9 p -67.03 -37.35 83.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.388 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -63.84 -44.01 94.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.543 ' CD2' ' CD1' ' A' ' 43' ' ' LEU . 11.6 tp -69.97 -50.83 37.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.573 ' HG3' ' CZ2' ' A' ' 69' ' ' TRP . 19.3 mmt -57.46 -31.04 65.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.045 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.428 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 0.3 OUTLIER -69.23 -36.5 77.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.0 t -71.19 -41.44 75.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.476 HG12 ' CB ' ' A' ' 23' ' ' ALA . 32.6 mt -76.0 -44.13 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.509 ' CD1' ' O ' ' A' ' 57' ' ' MET . 0.1 OUTLIER -113.78 128.79 56.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.488 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -60.86 -167.3 0.36 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.62 14.63 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.451 1.764 . . . . 0.0 110.959 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.541 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -71.46 -58.13 3.97 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.541 ' HD3' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.97 5.14 4.14 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.518 ' CZ ' ' HE3' ' A' ' 70' ' ' MET . 1.2 t80 -76.55 -47.68 21.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.3 -29.83 70.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.0 mp -69.0 -45.37 70.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.734 ' CZ3' ' CE3' ' A' ' 73' ' ' TRP . 35.1 t90 -71.0 -35.96 72.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 107.995 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.518 ' HE3' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -67.9 -35.05 77.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -71.06 -46.74 61.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.41 -44.92 73.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.734 ' CE3' ' CZ3' ' A' ' 69' ' ' TRP . 19.0 t90 -52.37 -42.58 64.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 108.015 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.18 -41.17 98.09 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.6 t -68.04 -46.88 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -61.81 -37.32 83.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.46 ' CD2' HD11 ' A' ' 106' ' ' LEU . 3.1 mt -70.84 -37.24 73.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -69.59 -41.22 76.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 110.275 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -33.9 76.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.61 -45.97 93.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.463 HG13 ' CG2' ' A' ' 101' ' ' THR . 0.4 OUTLIER -69.6 -47.87 68.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.6 -48.81 76.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.49 -47.45 79.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 87' ' ' ASP . . . -59.46 -48.62 80.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 m -58.71 -30.29 67.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.5 ttt85 -75.58 -36.48 60.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 84' ' ' ALA . 7.1 t0 -135.87 120.15 13.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 55.49 3.95 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.27 13.35 3.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.448 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -90.2 137.52 27.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.594 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -75.0 -21.79 15.48 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.529 1.805 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.432 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -62.29 -23.35 66.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 90' ' ' HIS . 16.5 p30 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.463 ' CG2' HG13 ' A' ' 81' ' ' ILE . 6.3 t -70.89 163.57 27.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.423 ' N ' ' HG1' ' A' ' 101' ' ' THR . 9.2 m120 -144.2 145.83 32.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.454 ' CD1' HD11 ' A' ' 81' ' ' ILE . 4.8 tp -65.91 -46.7 77.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.489 ' HA ' ' CG ' ' A' ' 107' ' ' LYS . 0.8 OUTLIER -53.94 -40.05 66.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.8 mmt-85 -53.71 -36.01 61.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.165 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.46 HD11 ' CD2' ' A' ' 77' ' ' LEU . 13.6 mt -88.25 -24.6 23.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.489 ' CG ' ' HA ' ' A' ' 104' ' ' ASP . 22.5 mmtp -51.03 -42.68 60.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 115.09 22.48 4.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.9 tp -108.51 7.0 26.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.36 155.33 9.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -55.28 121.84 9.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 116' ' ' ASN . . . 87.25 -18.52 36.42 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.49 ' CG ' ' HG3' ' A' ' 120' ' ' GLN . 1.6 ttt -62.62 -32.95 74.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 0.762 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.86 123.07 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 94.43 3.35 63.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 112' ' ' GLY . 9.2 p-10 176.89 86.96 0.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.485 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.0 -36.46 2.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -55.7 -56.75 16.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.14 -31.73 66.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.493 ' OE1' ' CD2' ' A' ' 123' ' ' LEU . 0.2 OUTLIER -66.44 -41.6 88.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 0.0 110.296 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.25 86.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.68 -13.05 60.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.564 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -76.63 -37.46 56.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.45 ' N ' ' CD2' ' A' ' 123' ' ' LEU . 2.0 pp -112.77 147.9 35.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.432 ' HB2' ' HD2' ' A' ' 126' ' ' PRO . 0.0 OUTLIER -76.15 172.44 9.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.341 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.432 ' HD2' ' HB2' ' A' ' 125' ' ' ARG . 18.2 Cg_endo -75.03 108.79 2.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.79 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -179.66 -54.6 0.08 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.432 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 15.6 mt-10 -65.72 -31.23 72.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.475 ' CD2' HD22 ' A' ' 49' ' ' LEU . 3.5 mt -65.6 -43.3 90.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.62 -39.86 77.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.37 80.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.417 ' O ' ' CB ' ' A' ' 136' ' ' ALA . 13.5 mt -69.97 -37.53 72.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 1.2 m -66.24 -49.57 66.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.375 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.55 -48.39 79.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 68.2 p -64.48 -33.66 76.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 132' ' ' ILE . . . -67.86 -43.62 79.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.515 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -61.22 -37.94 84.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.91 -33.39 74.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.64 -33.62 75.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.443 ' CE2' HG23 ' A' ' 60' ' ' ILE . 1.1 t80 -73.79 -53.5 10.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.476 ' O ' ' HG2' ' A' ' 141' ' ' ARG . 0.0 OUTLIER -56.53 -27.53 57.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.334 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.466 ' N ' ' HD3' ' A' ' 141' ' ' ARG . 5.1 tp10 -74.71 -39.59 61.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.9 t -73.21 -43.51 57.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -57.93 -42.94 85.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' PRO . . . . . 0.554 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' TRP . . . . . 0.554 ' CE3' ' HD2' ' A' ' 152' ' ' PRO . 38.7 p90 -51.16 -29.3 13.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 108.02 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -60.99 -33.22 72.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 152' ' ' PRO . 0.8 OUTLIER -81.59 -22.16 37.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.544 HG21 ' CE1' ' A' ' 167' ' ' PHE . 21.9 mt -73.15 120.74 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.2 p -130.82 133.57 46.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.35 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . 0.568 ' HB3' ' CD2' ' A' ' 167' ' ' PHE . 0.0 OUTLIER -100.46 130.05 46.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.337 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -95.79 176.96 33.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -17.79 19.24 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 84.1 p -107.75 18.71 21.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -116.81 135.27 53.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.88 131.22 50.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -70.2 -43.35 70.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.461 ' CG2' HD13 ' A' ' 223' ' ' LEU . 2.3 t -67.17 -47.94 80.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -56.31 -47.49 78.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' A' ' 158' ' ' GLN . 80.7 t80 -64.99 -33.57 76.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.49 ' O ' ' CD1' ' A' ' 172' ' ' ILE . . . -63.45 -32.86 74.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -68.7 -48.74 63.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 19.2 mtp85 -61.92 -37.15 83.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 0.477 HD11 ' CE2' ' A' ' 167' ' ' PHE . 1.0 OUTLIER -70.86 -49.73 42.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 168' ' ' ALA . 17.9 mt -57.76 -42.09 81.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -35.18 79.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . 0.464 ' CB ' HD12 ' A' ' 156' ' ' ILE . . . -68.27 -52.03 38.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . . . . . . . . . 39.1 t -58.33 -42.78 84.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -61.35 -56.12 24.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -59.25 -23.33 57.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.153 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.8 p -74.95 165.95 24.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -103.03 56.52 0.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.51 HD11 ' CZ3' ' A' ' 153' ' ' TRP . 14.3 mt -78.89 162.3 65.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 164.08 34.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.778 . . . . 0.0 111.057 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 182' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.3 Cg_endo -74.99 80.47 2.42 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 111.034 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 183' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.7 OUTLIER 159.9 -27.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.034 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.411 ' O ' ' CG2' ' A' ' 188' ' ' VAL . . . -84.11 -11.71 56.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 186' ' ' ALA . 7.9 mtm180 -86.69 70.98 10.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.51 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 167.97 -56.62 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 187' ' ' PRO . . . . . 0.51 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -75.02 -30.62 6.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.411 ' CG2' ' O ' ' A' ' 184' ' ' ALA . 79.5 t -64.9 -43.97 96.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 29.0 mt -63.19 -47.64 91.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 190' ' ' ILE . . . . . 0.45 ' CD1' ' C ' ' A' ' 213' ' ' THR . 74.9 mt -66.11 -45.77 89.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -58.74 -36.97 75.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 7.2 m -56.78 -48.72 77.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 108.313 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 193' ' ' PHE . . . . . 0.4 ' N ' ' CD1' ' A' ' 193' ' ' PHE . 11.0 m-30 -54.28 -35.71 62.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 194' ' ' ARG . . . . . 0.455 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 0.0 OUTLIER -105.75 20.57 18.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.288 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -102.68 -46.3 4.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.36 63.76 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.163 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 197' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.68 -177.8 4.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.969 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -52.3 157.82 2.19 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -35.71 2.97 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -65.55 -47.23 76.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 11.6 mm -69.38 -38.87 78.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.05 -45.96 69.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -60.42 -31.11 70.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . 0.514 HD22 ' CZ ' ' A' ' 221' ' ' TYR . 0.4 OUTLIER -70.3 -47.92 58.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.455 ' CG2' ' HB3' ' A' ' 194' ' ' ARG . 0.7 OUTLIER -63.59 -40.16 88.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -33.99 77.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -91.33 5.08 50.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 208' ' ' ALA . . . . . 0.486 ' HA ' ' CE2' ' A' ' 221' ' ' TYR . . . -61.71 154.92 63.94 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 155.17 42.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.53 1.805 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.94 17.31 5.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.05 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 9.2 t -102.59 -6.87 22.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 212' ' ' LEU . . . . . 0.503 ' O ' ' CG2' ' A' ' 213' ' ' THR . 0.5 OUTLIER -145.49 143.46 30.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 213' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' A' ' 212' ' ' LEU . 1.4 p -161.19 45.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.354 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 31.4 p -121.83 157.74 56.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 55.56 4.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.494 1.787 . . . . 0.0 111.005 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -158.79 -56.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.562 1.164 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -74.2 -31.66 62.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 0.0 110.313 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 218' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 218' ' ' ILE . 1.4 mp -63.51 -39.42 85.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 219' ' ' ILE . . . . . . . . . . . . . 6.7 mt -73.41 -49.4 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.65 -42.75 75.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.514 ' CZ ' HD22 ' A' ' 204' ' ' LEU . 2.5 t80 -64.96 -45.21 86.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 3.2 t -60.49 -47.83 91.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.461 HD13 ' CG2' ' A' ' 165' ' ' VAL . 70.7 mt -62.67 -38.03 88.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -63.38 -43.27 98.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 225' ' ' ARG . . . . . 0.47 ' HB3' ' CD1' ' A' ' 204' ' ' LEU . 0.0 OUTLIER -69.74 -40.32 76.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 1.6 tp10 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.402 ' O ' ' OG1' ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.02 -30.8 6.75 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.501 1.79 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -46.51 63.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.6 mt -69.39 -46.82 65.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.501 HG22 ' CD1' ' A' ' 56' ' ' LEU . 37.7 mt -58.14 -36.75 58.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 16' ' ' PRO . 15.1 m -67.27 -39.4 86.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -67.26 -49.28 65.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -42.36 87.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.432 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -63.9 -31.83 73.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.43 -47.35 86.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 29' ' ' LYS . 1.2 m -61.99 -37.31 84.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.47 HG11 ' CG2' ' A' ' 36' ' ' THR . 2.6 t -58.27 -45.2 89.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -67.42 -48.99 65.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.1 p -68.23 -19.31 64.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.425 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 33' ' ' SER . 18.5 mmtt -95.23 -14.56 23.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.01 131.6 0.27 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.452 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -67.58 -17.72 64.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 0.734 . . . . 0.0 109.328 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.83 2.85 50.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 8.0 t -101.92 145.82 31.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.004 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 54.7 3.7 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -141.18 -41.3 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.47 ' CG2' HG11 ' A' ' 26' ' ' VAL . 2.6 m -57.11 -42.55 81.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.45 -44.36 97.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.75 -43.88 74.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.73 -47.56 85.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 110.334 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.455 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 42.9 t -61.36 -45.92 97.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -63.75 -23.94 67.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.37 -55.35 21.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.47 ' CD1' HD21 ' A' ' 56' ' ' LEU . 1.2 pp -72.7 -44.53 61.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.513 ' SD ' ' CG2' ' A' ' 133' ' ' THR . 0.6 OUTLIER -72.73 -9.08 58.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 111.018 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 41' ' ' GLU . 8.6 t -37.82 -31.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 44' ' ' MET . 1.3 p -102.12 165.24 14.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.047 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 140.2 25.04 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.537 ' CD1' ' CG2' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -138.62 174.54 10.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.468 ' N ' ' OD2' ' A' ' 52' ' ' ASP . 11.6 mt -83.42 161.18 57.61 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -31.18 6.4 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -66.67 -52.09 48.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.605 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.468 ' OD2' ' N ' ' A' ' 49' ' ' LEU . 1.6 p30 -63.99 -31.75 73.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.537 ' CG2' ' CD1' ' A' ' 48' ' ' LEU . 2.3 t -53.58 -46.75 60.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.478 HG21 ' CE ' ' A' ' 70' ' ' MET . 24.8 p -66.91 -41.12 87.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -58.54 -44.03 89.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.501 ' CD1' HG22 ' A' ' 19' ' ' ILE . 13.1 tp -68.4 -48.28 65.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.518 ' HG2' ' CD1' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -58.32 -30.57 66.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' A' ' 61' ' ' LEU . 7.3 ttt180 -69.94 -36.16 75.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.62 -39.31 75.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.432 HG12 ' CB ' ' A' ' 23' ' ' ALA . 12.9 mt -79.11 -44.09 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.511 ' CD1' ' O ' ' A' ' 57' ' ' MET . 0.1 OUTLIER -117.35 136.22 53.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.609 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -67.32 -169.59 4.23 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.47 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.1 Cg_endo -75.03 -19.2 18.0 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.489 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -68.96 -55.99 9.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.609 ' HD2' ' C ' ' A' ' 62' ' ' GLY . 18.2 Cg_endo -75.07 -20.04 17.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.509 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 0.6 OUTLIER -53.0 -43.82 66.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 111.043 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.27 -35.39 80.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.0 mp -69.73 -42.89 73.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.349 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.645 ' CH2' ' CE3' ' A' ' 73' ' ' TRP . 27.2 t90 -71.29 -38.71 71.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 108.013 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.478 ' CE ' HG21 ' A' ' 54' ' ' THR . 8.0 mmt -66.72 -35.55 80.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -71.15 -45.45 63.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.78 -34.92 74.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.645 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 18.2 t90 -66.3 -41.22 90.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.022 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.2 -49.43 75.8 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 37.7 t -68.48 -45.87 81.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 109.272 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -54.58 -46.12 73.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.429 HD21 ' CD1' ' A' ' 106' ' ' LEU . 0.8 OUTLIER -55.87 -45.1 78.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -61.86 -37.82 85.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.19 -35.61 73.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.3 t -69.13 -34.57 64.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.405 HG13 ' CD1' ' A' ' 103' ' ' LEU . 17.5 mm -66.01 -48.26 82.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.93 -36.31 75.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.34 -38.84 91.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.568 ' HA ' ' CD2' ' A' ' 90' ' ' HIS . . . -62.43 -50.4 71.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.14 -29.12 68.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -75.26 -38.86 60.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -114.18 111.03 47.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 55.03 3.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.89 32.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.568 ' CD2' ' HA ' ' A' ' 84' ' ' ALA . 0.3 OUTLIER -83.51 138.18 41.5 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 109.604 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.432 ' HD2' ' ND1' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -75.03 -21.91 15.3 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.789 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.11 -10.82 59.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.41 ' ND2' ' HB2' ' A' ' 90' ' ' HIS . 87.5 m-20 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.476 HG23 ' CB ' ' A' ' 84' ' ' ALA . 4.2 t -71.07 169.9 14.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.44 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -142.05 140.59 32.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.405 ' CD1' HG13 ' A' ' 81' ' ' ILE . 5.7 tp -59.23 -29.87 67.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -63.1 -40.35 97.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.424 ' O ' ' CE ' ' A' ' 113' ' ' MET . 4.6 mtt180 -64.14 -46.92 81.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.429 ' CD1' HD21 ' A' ' 77' ' ' LEU . 95.9 mt -69.43 -15.63 63.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.28 -59.93 2.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.235 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 108.57 30.02 3.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.109 . . . . 0.0 110.955 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.4 tp -107.24 -7.53 16.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.451 ' CB ' ' HE1' ' A' ' 113' ' ' MET . . . -58.79 162.67 3.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -71.61 125.34 26.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.1 -2.38 65.85 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.496 ' SD ' ' CD2' ' A' ' 124' ' ' LEU . 0.2 OUTLIER -98.94 -34.41 10.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 0.742 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -97.93 132.45 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.84 2.73 66.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.12 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -151.96 116.84 3.05 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -74.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -36.24 64.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.66 -39.29 97.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.413 ' CG ' ' SD ' ' A' ' 113' ' ' MET . 1.6 tt0 -66.28 -44.37 83.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.57 89.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.88 -16.98 62.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.9 tt -79.08 -41.53 28.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.496 ' CD2' ' SD ' ' A' ' 113' ' ' MET . 0.1 OUTLIER -91.47 129.74 37.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.445 ' NH1' ' HB2' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -57.5 158.13 11.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 107.98 2.61 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 166.55 -54.77 0.24 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.12 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.446 ' HG2' ' N ' ' A' ' 129' ' ' LEU . 2.3 pm0 -57.23 -29.32 63.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.446 ' N ' ' HG2' ' A' ' 128' ' ' GLU . 18.5 mt -57.08 -45.06 83.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 42.2 t -66.47 -39.96 85.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.56 -40.05 81.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 21.0 mt -68.83 -38.64 78.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.513 ' CG2' ' SD ' ' A' ' 44' ' ' MET . 8.8 m -65.41 -49.41 69.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.24 89.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.373 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.41 -36.08 73.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.026 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.59 98.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.427 ' CD2' ' HG3' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -69.92 -33.17 71.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -64.16 -43.12 96.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.427 ' HB1' ' N ' ' A' ' 73' ' ' TRP . . . -68.55 -33.55 74.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -63.82 -58.72 5.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -54.22 -26.7 29.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -68.75 -43.08 76.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 24.6 t -63.16 -42.76 97.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.25 -22.67 60.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' PRO . . . . . 0.48 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.925 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' TRP . . . . . 0.559 ' CH2' HD11 ' A' ' 180' ' ' LEU . 26.7 p90 -101.11 -26.44 13.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 108.008 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.0 -32.92 66.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.83 -22.1 43.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.561 HG23 ' CE1' ' A' ' 167' ' ' PHE . 52.4 mt -77.5 120.89 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.147 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.601 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 42.0 p -131.32 134.19 46.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.351 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . 0.562 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 8.7 tm0? -68.76 124.14 22.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -115.52 160.17 13.42 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -23.65 13.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 89.7 p -73.92 -30.73 62.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 110.006 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -104.22 136.19 44.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 11.1 t -56.76 140.5 47.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . 0.447 ' CE2' ' CG1' ' A' ' 222' ' ' VAL . 0.5 OUTLIER -55.67 -52.42 63.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.454 HG23 ' CG2' ' A' ' 219' ' ' ILE . 1.0 OUTLIER -60.01 -43.33 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -57.06 -43.99 82.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.601 ' CE1' ' C ' ' A' ' 157' ' ' THR . 56.5 t80 -67.81 -40.77 83.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 193' ' ' PHE . . . -58.21 -36.5 73.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -64.86 -49.23 71.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -59.06 -37.42 77.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 0.572 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.7 OUTLIER -69.98 -50.57 40.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 59.5 mt -57.75 -35.49 51.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -37.53 77.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.86 -40.55 79.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . . . . . . . . . 25.4 t -69.89 -41.13 79.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.78 -35.59 81.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -93.54 23.66 29.29 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 60.4 p -124.79 166.12 16.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.775 . . . . 0.0 109.942 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.34 91.32 5.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.559 HD11 ' CH2' ' A' ' 153' ' ' TRP . 19.6 mt -117.81 158.13 46.42 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.4 16.44 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 182' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.4 Cg_endo -74.94 136.02 19.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 183' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 1.7 t 85.16 -9.03 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -87.9 -18.97 28.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -86.43 75.34 9.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.512 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 174.76 -56.92 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 187' ' ' PRO . . . . . 0.512 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -74.99 -28.41 9.2 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 43.0 t -66.82 -43.0 89.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 11.9 mt -67.82 -48.36 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 190' ' ' ILE . . . . . 0.466 HD13 ' N ' ' A' ' 214' ' ' THR . 29.1 mt -65.66 -39.49 85.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 191' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 187' ' ' PRO . 17.0 t70 -63.96 -36.39 83.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 192' ' ' CYS . . . . . 0.449 ' CB ' HD13 ' A' ' 171' ' ' LEU . 20.2 m -56.8 -42.79 80.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 108.328 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 193' ' ' PHE . . . . . 0.435 ' CD2' ' HA ' ' A' ' 190' ' ' ILE . 17.7 m-30 -61.15 -50.48 73.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -84.8 14.89 4.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.45 -33.11 10.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -168.87 75.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 197' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 193' ' ' PHE . 51.8 p -141.06 165.93 26.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.993 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 198' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 197' ' ' SER . 2.8 mp0 -43.14 166.35 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -38.89 1.38 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.507 1.793 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -65.42 -50.2 66.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 11.7 mm -61.76 -45.42 98.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.231 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -65.63 -46.02 80.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -60.64 -34.25 74.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . 0.7 ' CD2' ' CE2' ' A' ' 221' ' ' TYR . 0.6 OUTLIER -64.3 -49.85 70.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -39.93 87.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -38.72 92.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -83.84 -11.91 56.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 208' ' ' ALA . . . . . 0.43 ' CB ' ' CE2' ' A' ' 221' ' ' TYR . . . -63.75 161.1 39.68 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 209' ' ' PRO . . . . . 0.456 ' HD2' ' CD1' ' A' ' 212' ' ' LEU . 18.3 Cg_endo -74.94 155.73 43.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.66 9.26 9.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 46.8 m -92.6 -9.2 41.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 212' ' ' LEU . . . . . 0.526 ' O ' ' CG2' ' A' ' 213' ' ' THR . 2.7 mt -105.02 132.26 51.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 213' ' ' THR . . . . . 0.526 ' CG2' ' O ' ' A' ' 212' ' ' LEU . 1.0 OUTLIER -163.33 38.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.442 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 214' ' ' THR . . . . . 0.466 ' N ' HD13 ' A' ' 190' ' ' ILE . 13.3 p -133.82 153.01 79.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.401 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 55.39 3.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 216' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 220' ' ' LYS . . . -164.87 -50.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.536 1.148 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -71.72 -33.32 68.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.77 . . . . 0.0 110.252 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 218' ' ' ILE . . . . . 0.497 ' CD1' ' HB2' ' A' ' 212' ' ' LEU . 33.7 mm -65.05 -50.48 74.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 219' ' ' ILE . . . . . 0.454 ' CG2' HG23 ' A' ' 165' ' ' VAL . 3.0 mt -72.01 -41.42 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 220' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 216' ' ' GLY . 0.2 OUTLIER -59.24 -38.17 79.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.245 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.7 ' CE2' ' CD2' ' A' ' 204' ' ' LEU . 15.7 t80 -73.87 -45.11 52.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . 0.447 ' CG1' ' CE2' ' A' ' 164' ' ' PHE . 2.4 t -60.14 -43.65 93.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.65 -39.7 91.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -63.73 -34.26 77.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 225' ' ' ARG . . . . . 0.473 ' CB ' HD23 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -79.19 -39.74 32.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.01 -25.54 11.75 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.449 1.762 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -65.67 -45.81 81.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.455 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 29.2 mt -69.86 -37.43 76.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 73.7 mt -71.07 -41.22 76.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 16' ' ' PRO . 52.2 m -68.93 -52.23 31.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.482 ' CG ' ' N ' ' A' ' 22' ' ' LEU . 9.3 ptm180 -57.26 -41.83 80.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.482 ' N ' ' CG ' ' A' ' 21' ' ' ARG . 2.5 tm? -66.31 -38.6 88.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.49 -31.34 70.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -60.99 -42.38 98.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.52 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 2.6 m -66.89 -37.63 84.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.434 ' CG1' HG22 ' A' ' 36' ' ' THR . 2.1 t -63.27 -43.6 98.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -65.71 -49.15 69.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.0 p -65.35 -33.47 76.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.372 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.52 ' CG ' ' O ' ' A' ' 25' ' ' THR . 14.2 mmtt -81.36 -12.38 59.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.89 121.61 4.89 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.406 HD22 ' CG1' ' A' ' 26' ' ' VAL . 1.1 tm? -66.12 -32.58 74.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -89.13 2.6 53.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.29 164.64 40.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.046 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -35.63 2.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.521 1.801 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.469 ' CG2' ' CB ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -50.31 -23.92 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.434 HG22 ' CG1' ' A' ' 26' ' ' VAL . 52.9 m -58.88 -49.72 76.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 38.6 mmt -64.7 -33.09 75.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.35 -52.33 28.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.09 -47.66 84.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.497 ' CG1' ' SD ' ' A' ' 44' ' ' MET . 57.3 t -58.8 -49.41 82.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 45' ' ' SER . 20.4 mt-10 -60.36 -23.1 64.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.57 -55.02 23.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.431 ' CD2' ' HA ' ' A' ' 40' ' ' VAL . 0.6 OUTLIER -72.88 -40.56 65.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.503 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 16.1 mtt -76.11 -9.62 58.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 41' ' ' GLU . 5.3 m -33.79 -49.5 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.967 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 p -88.7 161.99 40.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.79 37.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.518 ' CD1' ' CG2' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -146.51 -172.37 3.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.407 ' CD2' ' HB2' ' A' ' 121' ' ' ALA . 0.9 OUTLIER -92.4 164.95 20.82 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -25.97 11.29 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.485 1.782 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.478 ' O ' ' OG1' ' A' ' 54' ' ' THR . 14.7 m170 -67.6 -51.36 51.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 109.614 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 53' ' ' VAL . 3.3 p30 -65.54 -30.72 71.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.518 ' CG2' ' CD1' ' A' ' 48' ' ' LEU . 2.2 t -56.41 -48.31 80.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 51' ' ' HIS . 38.0 p -65.32 -49.79 68.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 110.401 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.468 ' ND2' ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -56.97 -41.83 79.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.426 HD12 ' CD1' ' A' ' 60' ' ' ILE . 5.7 tp -65.77 -52.64 49.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.555 ' HG2' ' CD1' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -57.1 -29.42 63.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 61' ' ' LEU . 14.0 ttt-85 -67.92 -36.24 79.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.6 t -74.93 -48.51 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.426 ' CD1' HD12 ' A' ' 56' ' ' LEU . 2.1 mt -70.12 -44.28 78.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 140' ' ' PHE . 1.5 tm? -107.34 128.5 54.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.426 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -42.63 161.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -25.06 12.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.506 1.793 . . . . 0.0 110.959 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.552 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -71.46 -59.24 3.27 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.552 ' HD3' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.03 -4.7 15.79 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.413 ' CB ' ' O ' ' A' ' 62' ' ' GLY . 0.1 OUTLIER -67.7 -41.38 83.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.058 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.78 -30.07 68.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.467 ' CB ' HG22 ' A' ' 143' ' ' VAL . 3.9 mp -71.86 -38.99 69.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.555 ' CD1' ' HG2' ' A' ' 57' ' ' MET . 3.0 t90 -65.56 -37.74 87.56 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 45.0 tpp -59.29 -42.21 90.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -71.1 -46.44 61.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.24 72.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.418 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 19.5 t90 -63.9 -41.36 97.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 108.003 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.9 -46.62 93.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 15.2 t -66.19 -39.92 85.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -59.06 -45.62 90.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mt -56.02 -46.31 78.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.47 ' HG2' ' CD2' ' A' ' 103' ' ' LEU . 64.3 mt-30 -63.2 -31.43 72.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -35.04 77.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.405 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.472 HG12 ' CE1' ' A' ' 90' ' ' HIS . 2.6 t -66.96 -34.87 72.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.407 HG12 ' N ' ' A' ' 103' ' ' LEU . 0.8 OUTLIER -78.01 -50.27 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.18 -37.25 76.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.423 ' HB3' ' NE2' ' A' ' 90' ' ' HIS . . . -65.4 -49.16 70.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.14 -48.47 81.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 m -60.42 -37.01 79.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.1 ttt-85 -75.09 -43.27 54.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -136.14 123.56 14.64 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 54.81 3.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.442 1.759 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -127.51 12.01 6.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.472 ' CE1' HG12 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -87.52 140.87 31.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.582 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -26.6 10.75 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.524 1.802 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.06 -12.47 60.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.1 t -77.08 170.01 17.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.443 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.18 148.84 26.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.47 ' CD2' ' HG2' ' A' ' 78' ' ' GLN . 6.9 tp -61.24 -30.34 70.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -64.75 -41.79 95.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -64.78 -45.43 86.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.3 mt -72.97 -15.96 61.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.407 ' CD ' ' O ' ' A' ' 103' ' ' LEU . 1.9 mptp? -70.88 -51.3 27.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.482 ' O ' ' CG1' ' A' ' 114' ' ' VAL . . . 116.6 10.48 10.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.146 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.4 tp -76.68 -3.02 35.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 0.758 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.471 ' HB3' ' CE ' ' A' ' 113' ' ' MET . . . -58.83 158.29 8.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.07 122.09 17.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 85.01 -11.11 61.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.481 ' HA ' ' CB ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -78.87 -31.08 45.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 0.715 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.482 ' CG1' ' O ' ' A' ' 108' ' ' GLY . 0.0 OUTLIER -98.24 136.41 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.48 3.16 64.98 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -156.24 103.49 2.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -44.05 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -76.94 -34.05 57.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -71.18 -43.21 56.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.481 ' CB ' ' HA ' ' A' ' 113' ' ' MET . 7.9 pt20 -67.02 -43.58 82.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 0.791 . . . . 0.0 110.31 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.452 ' N ' ' HG3' ' A' ' 120' ' ' GLN . . . -58.09 -30.9 66.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.12 -30.15 55.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.521 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -84.38 -14.97 48.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.459 HD21 ' CE ' ' A' ' 113' ' ' MET . 40.6 mt -91.68 102.08 14.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.503 ' CD ' ' OE1' ' A' ' 128' ' ' GLU . 0.1 OUTLIER -46.96 159.37 0.38 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 107.76 2.56 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.484 1.781 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.87 -53.83 0.27 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.553 1.158 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.503 ' OE1' ' CD ' ' A' ' 125' ' ' ARG . 7.5 pm0 -66.66 -31.78 72.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 110.31 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.422 ' N ' ' HG2' ' A' ' 128' ' ' GLU . 27.8 mt -59.17 -40.18 84.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 44.4 t -67.88 -39.14 81.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.89 -39.38 71.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 43.8 mt -66.9 -39.97 84.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.481 ' CG2' ' HG2' ' A' ' 44' ' ' MET . 1.3 m -65.4 -49.77 68.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.76 -43.9 97.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 6.3 t -63.11 -38.21 90.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.003 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.32 -39.92 94.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.503 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -66.42 -39.9 89.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.63 -37.6 87.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.525 ' HB1' ' CD1' ' A' ' 69' ' ' TRP . . . -67.8 -33.23 74.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 19.8 t80 -62.81 -62.11 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -53.02 -24.92 10.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -67.55 -39.0 84.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.467 HG22 ' CB ' ' A' ' 68' ' ' LEU . 23.7 t -76.46 -43.08 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.5 -49.97 75.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' PRO . . . . . 0.564 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.846 0 N-CA-C 110.965 -0.437 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' TRP . . . . . 0.564 ' CE3' ' HD2' ' A' ' 152' ' ' PRO . 37.1 p90 -52.69 -27.46 17.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 108.02 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.49 -32.58 74.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -79.57 -18.52 51.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.535 HG23 ' CE1' ' A' ' 167' ' ' PHE . 9.7 mt -85.24 120.72 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.613 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 39.6 m -125.92 138.67 53.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . 0.567 ' HB2' ' CD2' ' A' ' 167' ' ' PHE . 6.7 tm0? -75.73 129.98 37.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -109.11 158.31 14.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -19.0 18.16 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.22 -31.45 33.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.587 1.179 . . . . 0.0 109.948 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.57 135.26 40.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.66 142.13 46.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.94 -49.43 73.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.42 ' O ' ' ND2' ' A' ' 169' ' ' ASN . 0.8 OUTLIER -62.4 -36.24 73.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.1 -48.58 79.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.613 ' CE1' ' C ' ' A' ' 157' ' ' THR . 84.9 t80 -67.3 -32.99 74.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 193' ' ' PHE . . . -62.36 -34.24 76.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 165' ' ' VAL . 34.6 m-80 -68.31 -50.62 52.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 1.3 mtp-105 -60.33 -37.28 80.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.271 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 0.54 HD11 ' CE2' ' A' ' 167' ' ' PHE . 1.2 tt -70.85 -51.34 27.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . 0.472 ' CG1' HG23 ' A' ' 189' ' ' ILE . 34.8 mt -57.27 -34.62 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.37 -37.53 77.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . 0.498 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -69.06 -46.58 67.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . . . . . . . . . 25.2 t -61.6 -45.5 98.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.03 -43.11 63.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -94.45 28.24 11.6 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.48 166.23 11.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 0.799 . . . . 0.0 109.993 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -94.43 86.35 4.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.544 HD11 ' CH2' ' A' ' 153' ' ' TRP . 21.5 mt -128.06 158.68 70.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 161.9 38.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.792 . . . . 0.0 110.958 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 182' ' ' PRO . . . . . 0.516 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.2 Cg_endo -75.06 83.08 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 183' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.9 OUTLIER 158.81 -35.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.004 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.462 ' C ' ' HD2' ' A' ' 187' ' ' PRO . . . -82.37 -9.9 59.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -84.71 70.69 10.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.58 ' CA ' ' HD3' ' A' ' 215' ' ' PRO . . . 171.31 -55.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 187' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -74.99 -26.58 10.81 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.449 1.763 . . . . 0.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 7.8 t -66.66 -36.01 76.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 189' ' ' ILE . . . . . 0.7 ' CG2' ' CZ ' ' A' ' 193' ' ' PHE . 5.4 mt -68.8 -45.47 80.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 190' ' ' ILE . . . . . 0.553 ' CD1' ' N ' ' A' ' 214' ' ' THR . 66.3 mt -60.83 -35.83 67.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 191' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 195' ' ' GLN . 6.9 t70 -58.21 -48.09 81.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 192' ' ' CYS . . . . . 0.467 ' CB ' HD12 ' A' ' 171' ' ' LEU . 11.5 m -53.15 -49.14 67.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.315 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 193' ' ' PHE . . . . . 0.7 ' CZ ' ' CG2' ' A' ' 189' ' ' ILE . 8.5 m-30 -54.75 -24.85 24.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 194' ' ' ARG . . . . . 0.501 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 10.8 ptt180 -124.48 29.91 6.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 191' ' ' ASP . 2.3 tm0? -114.43 -56.1 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 196' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 197' ' ' SER . 5.2 tttp -118.06 -39.14 3.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 197' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 198' ' ' GLN . 1.1 m -38.8 158.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.031 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 198' ' ' GLN . . . . . 0.41 ' O ' ' O ' ' A' ' 197' ' ' SER . 2.8 mp0 -42.89 166.34 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 199' ' ' PRO . . . . . 0.413 ' O ' ' HG2' ' A' ' 202' ' ' GLN . 18.3 Cg_endo -75.05 -33.07 4.81 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.37 -34.79 78.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 17.7 mm -78.18 -45.68 26.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 202' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 199' ' ' PRO . 5.1 pt20 -65.68 -40.39 92.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 38.5 tp60 -62.93 -37.71 88.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . 0.563 HD22 ' CE2' ' A' ' 221' ' ' TYR . 0.3 OUTLIER -66.19 -49.1 68.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.501 ' CG2' ' HB3' ' A' ' 194' ' ' ARG . 0.5 OUTLIER -62.6 -40.01 86.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -64.0 -36.86 85.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.255 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -86.82 4.0 42.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 208' ' ' ALA . . . . . . . . . . . . . . . -67.76 158.45 83.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 155.09 42.83 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.537 1.809 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.26 1.46 44.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 97.2 m -84.97 -2.48 57.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 110.386 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 212' ' ' LEU . . . . . 0.47 ' CD1' HD12 ' A' ' 218' ' ' ILE . 0.0 OUTLIER -145.57 138.13 25.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.351 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 213' ' ' THR . . . . . 0.506 ' C ' ' CD1' ' A' ' 190' ' ' ILE . 1.0 OUTLIER -155.5 43.0 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.411 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 214' ' ' THR . . . . . 0.553 ' N ' ' CD1' ' A' ' 190' ' ' ILE . 0.4 OUTLIER -134.42 158.91 74.12 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.393 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 215' ' ' PRO . . . . . 0.58 ' HD3' ' CA ' ' A' ' 186' ' ' ALA . 18.4 Cg_endo -75.0 55.18 3.87 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.806 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -148.67 -62.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.71 -32.54 60.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.784 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 218' ' ' ILE . . . . . 0.47 HD12 ' CD1' ' A' ' 212' ' ' LEU . 1.4 mp -62.87 -51.21 74.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.359 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 219' ' ' ILE . . . . . . . . . . . . . 4.0 mt -62.26 -50.12 81.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -56.68 -33.74 66.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.563 ' CE2' HD22 ' A' ' 204' ' ' LEU . 5.8 t80 -74.21 -47.31 36.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 3.8 t -60.47 -49.78 82.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.418 ' CD1' HG22 ' A' ' 165' ' ' VAL . 54.9 mt -57.24 -40.74 78.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.78 -32.88 74.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 225' ' ' ARG . . . . . 0.415 ' CB ' HD21 ' A' ' 204' ' ' LEU . 3.1 tpt180 -74.32 -34.53 63.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.325 179.947 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.427 ' O ' ' CB ' ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.08 -29.52 8.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.79 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -63.4 -50.92 67.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.433 ' N ' ' CG ' ' A' ' 17' ' ' LYS . 82.4 mt -69.75 -45.79 67.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.406 ' CG2' HD13 ' A' ' 56' ' ' LEU . 9.6 mt -59.26 -37.43 68.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.427 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 1.4 m -62.08 -38.43 88.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.381 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.53 -48.38 75.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.331 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -66.53 -39.11 88.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.465 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -65.32 -34.65 78.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.21 -47.94 82.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.476 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -59.62 -37.89 79.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.385 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.467 ' CG1' HD22 ' A' ' 31' ' ' LEU . 9.1 t -59.63 -44.11 92.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.14 -48.65 72.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.7 p -71.92 -15.65 62.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.394 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 25' ' ' THR . 23.0 mmtm -94.87 -14.74 24.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.88 127.46 3.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.467 HD22 ' CG1' ' A' ' 26' ' ' VAL . 1.1 mt -67.74 -19.05 65.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 0.769 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.2 ptt-85 -95.21 2.04 54.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 12.7 m -89.85 160.38 41.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.022 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -24.4 12.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.798 . . . . 0.0 110.999 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.412 HG21 ' CB ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -62.48 -31.27 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.427 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 3.3 m -66.5 -49.05 67.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.38 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 20.5 mmt -64.72 -38.03 89.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.26 -52.24 29.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.468 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 8.3 mt-10 -60.02 -47.29 86.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 36' ' ' THR . 53.0 t -61.3 -39.47 82.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.465 ' HG3' ' CD2' ' A' ' 137' ' ' LEU . 31.0 mt-10 -69.16 -24.66 64.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.342 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.49 -54.75 20.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.0 -48.05 64.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.485 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 22.1 mtt -71.94 -10.79 60.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' GLU . 57.7 p -35.96 -37.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.19 165.14 14.11 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.66 12.54 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.518 1.799 . . . . 0.0 110.945 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.46 HD11 ' CG2' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -123.34 -174.3 2.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.459 ' CD2' ' HB2' ' A' ' 121' ' ' ALA . 0.3 OUTLIER -88.7 162.6 38.36 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -33.91 4.22 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.423 ' O ' ' OG1' ' A' ' 54' ' ' THR . 9.8 t-80 -68.11 -44.6 75.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.55 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 18.8 m-20 -64.27 -32.44 74.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.46 ' CG2' HD11 ' A' ' 48' ' ' LEU . 38.3 t -56.43 -47.29 81.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.487 HG21 ' CE ' ' A' ' 70' ' ' MET . 61.0 p -67.54 -45.91 74.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.469 ' C ' ' ND2' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -57.55 -43.85 84.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.464 ' N ' ' CG ' ' A' ' 55' ' ' ASN . 4.0 tp -68.13 -42.08 80.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.529 ' HG2' ' CE2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -62.98 -31.23 72.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.411 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 16.1 ttt-85 -68.41 -36.77 79.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.9 t -70.9 -44.77 75.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.465 HG12 ' CB ' ' A' ' 23' ' ' ALA . 98.6 mt -72.38 -43.3 64.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -120.78 132.5 55.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.496 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -62.13 -166.63 0.53 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.405 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -74.94 -19.58 17.84 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.491 1.785 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.547 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -71.51 -58.75 3.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.547 ' HD3' ' CB ' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.0 4.51 4.68 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.453 1.765 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.411 ' CE1' ' HB2' ' A' ' 58' ' ' ARG . 2.8 t80 -77.67 -47.51 19.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.59 -30.0 70.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.429 ' HB3' ' CG2' ' A' ' 143' ' ' VAL . 6.0 mp -68.8 -46.54 68.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.751 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 27.8 t90 -70.68 -41.54 71.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 108.004 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.487 ' CE ' HG21 ' A' ' 54' ' ' THR . 11.3 mmt -61.9 -38.1 87.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -68.79 -44.21 74.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.89 -28.69 62.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.259 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.751 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 16.8 t90 -71.69 -44.22 64.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 108.042 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.91 -45.31 92.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.38 -46.37 80.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 0.752 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -55.93 -45.98 78.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.454 ' CD2' HD11 ' A' ' 106' ' ' LEU . 2.1 mt -60.73 -45.46 94.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.428 ' HA ' ' CD1' ' A' ' 103' ' ' LEU . 35.9 mt-30 -60.4 -30.21 69.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.73 -34.92 77.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.378 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.97 -46.95 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.56 -50.18 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.46 86.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.3 -49.24 78.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.415 ' CB ' HG23 ' A' ' 101' ' ' THR . . . -60.48 -49.32 78.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 m -58.95 -29.07 66.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.395 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -74.78 -38.92 62.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -135.13 119.11 13.26 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 54.93 3.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.87 23.57 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.11 141.69 33.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.573 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.09 15.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.432 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -75.49 -7.12 53.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.415 HG23 ' CB ' ' A' ' 84' ' ' ALA . 13.4 t -72.96 161.35 30.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.387 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.11 155.92 39.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.428 ' CD1' ' HA ' ' A' ' 78' ' ' GLN . 0.6 OUTLIER -62.93 -42.98 99.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.63 -39.03 86.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -45.97 92.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.454 HD11 ' CD2' ' A' ' 77' ' ' LEU . 23.8 mt -75.6 -16.5 60.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.39 -48.04 16.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.403 ' CA ' ' OE1' ' A' ' 120' ' ' GLN . . . 114.41 19.1 6.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.2 tp -91.62 6.35 46.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 109.283 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.46 ' HB1' ' CE ' ' A' ' 113' ' ' MET . . . -58.66 162.01 4.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -61.15 125.16 22.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 77.8 -1.06 69.24 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.46 ' CE ' ' HB1' ' A' ' 110' ' ' ALA . 8.5 mtt -102.37 -21.49 14.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.769 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 10.7 t -69.75 125.3 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 78.83 -3.44 64.58 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -121.99 98.65 44.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -62.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.02 -43.93 70.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.53 -35.65 92.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.455 ' HG2' ' CD1' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -65.77 -42.06 91.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.786 . . . . 0.0 110.31 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.459 ' HB2' ' CD2' ' A' ' 49' ' ' LEU . . . -65.88 -35.83 81.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.02 -20.16 58.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.95 -33.3 19.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.455 ' CD1' ' HG2' ' A' ' 120' ' ' GLN . 5.2 mt -78.94 148.72 32.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -73.62 157.74 87.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 108.24 2.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.31 -42.28 1.09 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.097 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.432 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 1.5 mt-10 -56.56 -34.68 67.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 0.753 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.42 -41.25 96.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 51.8 t -59.33 -39.78 79.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.74 -38.86 76.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 8.2 mt -69.05 -42.16 81.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.484 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 1.7 m -63.26 -46.25 87.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.386 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.02 99.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 29.1 p -67.48 -33.72 75.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.987 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.18 -42.31 80.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.485 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -69.18 -36.38 77.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -66.92 -39.52 87.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.21 -30.79 69.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.411 ' CZ ' ' CG2' ' A' ' 36' ' ' THR . 2.4 t80 -65.56 -62.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 2.6 ptp85 -52.8 -26.08 13.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -72.53 -30.39 64.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.429 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 3.3 t -84.68 -31.35 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.21 -49.92 25.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' PRO . . . . . 0.462 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' TRP . . . . . 0.492 ' CH2' HD22 ' A' ' 180' ' ' LEU . 38.9 p90 -77.41 -19.3 56.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 108.005 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.83 -32.82 67.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -79.8 -19.22 49.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.557 HG22 ' CE1' ' A' ' 167' ' ' PHE . 9.5 mt -84.17 121.0 36.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.596 ' O ' ' CE1' ' A' ' 167' ' ' PHE . 1.9 m -127.37 141.93 51.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . 0.554 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 2.9 tm0? -85.77 129.93 34.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . 0.433 ' N ' ' OE2' ' A' ' 162' ' ' GLU . . . -127.87 163.72 21.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -27.74 9.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.782 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 3.0 m -67.97 -29.36 68.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.433 ' OE2' ' N ' ' A' ' 159' ' ' GLY . 15.8 pt-20 -102.68 135.65 43.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.404 ' CB ' ' HB2' ' A' ' 166' ' ' ASP . 0.5 OUTLIER -57.3 133.05 54.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.003 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . 0.506 ' CE2' HG13 ' A' ' 222' ' ' VAL . 2.4 t80 -55.84 -51.84 66.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.466 HG22 ' CD1' ' A' ' 223' ' ' LEU . 0.3 OUTLIER -62.68 -44.24 99.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.42 ' N ' ' CG1' ' A' ' 165' ' ' VAL . 45.9 m-20 -59.0 -47.83 83.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 157' ' ' THR . 84.4 t80 -64.58 -40.48 95.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.65 -39.76 71.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -63.42 -43.36 97.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -62.86 -37.53 87.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 0.495 HD11 ' CE2' ' A' ' 167' ' ' PHE . 0.4 OUTLIER -71.3 -45.87 62.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 23.0 mt -61.25 -38.9 80.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -68.96 -37.44 78.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . 0.497 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -68.51 -41.04 80.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . . . . . . . . . 37.7 t -69.4 -45.25 79.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -55.6 -33.69 64.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -98.55 19.8 52.95 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 25.5 p -112.89 165.81 11.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -93.51 88.8 6.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.492 HD22 ' CH2' ' A' ' 153' ' ' TRP . 16.9 mt -126.57 155.01 75.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 162.79 36.57 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 75.67 3.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.792 . . . . 0.0 110.967 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 167.44 -31.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.974 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -81.49 -11.93 59.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -84.43 70.52 10.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.517 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 175.6 -57.4 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 187' ' ' PRO . . . . . 0.517 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.4 Cg_endo -74.98 -29.94 7.73 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 24.5 t -65.2 -41.08 90.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 189' ' ' ILE . . . . . 0.564 HG21 ' CZ ' ' A' ' 193' ' ' PHE . 39.1 mt -66.32 -48.06 82.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 190' ' ' ILE . . . . . 0.5 HG23 HG13 ' A' ' 218' ' ' ILE . 29.6 mt -65.61 -41.92 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 191' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' A' ' 191' ' ' ASP . 31.9 t0 -59.62 -40.56 87.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 192' ' ' CYS . . . . . 0.412 ' CB ' HD12 ' A' ' 171' ' ' LEU . 24.4 m -53.9 -48.5 70.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 193' ' ' PHE . . . . . 0.564 ' CZ ' HG21 ' A' ' 189' ' ' ILE . 7.2 m-30 -53.34 -45.1 68.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.01 20.37 10.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -102.16 -33.9 9.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 196' ' ' LYS . . . . . 0.412 ' CD ' HG23 ' A' ' 157' ' ' THR . 0.0 OUTLIER -164.09 72.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 197' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 198' ' ' GLN . 4.8 p -147.37 157.04 43.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 198' ' ' GLN . . . . . 0.506 ' HB2' ' HD2' ' A' ' 199' ' ' PRO . 0.3 OUTLIER -39.29 162.35 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 199' ' ' PRO . . . . . 0.506 ' HD2' ' HB2' ' A' ' 198' ' ' GLN . 18.4 Cg_endo -75.03 -30.6 6.95 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.497 1.788 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -45.29 85.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.452 ' CD1' HG13 ' A' ' 222' ' ' VAL . 2.8 mm -74.96 -45.75 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -59.28 -40.46 86.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 199' ' ' PRO . 2.8 tp-100 -64.67 -33.48 76.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 225' ' ' ARG . 0.5 OUTLIER -70.33 -48.88 54.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.478 ' O ' ' CB ' ' A' ' 208' ' ' ALA . 0.2 OUTLIER -63.28 -39.1 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -64.44 -42.78 95.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -78.17 -0.26 27.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 208' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 205' ' ' ILE . . . -59.92 151.11 66.16 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 209' ' ' PRO . . . . . 0.506 ' HD2' ' CD1' ' A' ' 212' ' ' LEU . 18.2 Cg_endo -74.96 146.83 33.32 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 110.984 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 12.9 m -69.33 61.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 13.5 m -156.74 -38.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.433 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 212' ' ' LEU . . . . . 0.506 ' CD1' ' HD2' ' A' ' 209' ' ' PRO . 1.6 mt -74.03 124.01 25.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 213' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 212' ' ' LEU . 1.4 p -161.3 32.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.428 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 214' ' ' THR . . . . . 0.478 ' N ' HD13 ' A' ' 190' ' ' ILE . 7.0 p -127.61 153.21 77.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.431 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.21 3.89 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -164.78 -51.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -71.5 -32.71 68.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 218' ' ' ILE . . . . . 0.502 ' CD1' ' HB2' ' A' ' 212' ' ' LEU . 50.8 mm -68.64 -51.7 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 219' ' ' ILE . . . . . 0.4 ' HA ' ' CE2' ' A' ' 164' ' ' PHE . 3.9 mt -63.85 -43.35 97.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -62.43 -44.48 96.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.406 ' CZ ' HD21 ' A' ' 204' ' ' LEU . 5.9 t80 -64.37 -50.47 67.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . 0.506 HG13 ' CE2' ' A' ' 164' ' ' PHE . 2.7 t -60.29 -44.9 96.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 165' ' ' VAL . 13.2 mt -61.49 -40.62 95.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -62.98 -51.25 67.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 225' ' ' ARG . . . . . 0.477 ' HB3' ' CD1' ' A' ' 204' ' ' LEU . 5.7 tpt180 -62.63 -35.16 78.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.501 ' O ' ' CG1' ' A' ' 19' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -34.67 3.63 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 1.7 pttm -71.11 -47.79 56.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.424 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 12.1 mt -65.93 -43.31 88.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 15' ' ' GLU . 35.9 mt -58.68 -37.12 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.363 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.0 m -61.77 -39.67 92.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -48.8 73.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.423 HD22 ' CG ' ' A' ' 39' ' ' GLU . 1.5 tt -65.13 -37.93 89.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.462 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -66.69 -34.51 78.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.491 ' O ' ' CG ' ' A' ' 27' ' ' ARG . 2.7 m-20 -62.21 -33.09 73.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.494 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.1 m -71.31 -36.22 71.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.415 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.461 HG11 ' CG2' ' A' ' 36' ' ' THR . 68.8 t -65.03 -51.47 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 0.7 OUTLIER -56.74 -34.21 67.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.43 ' N ' ' HG3' ' A' ' 27' ' ' ARG . 28.1 p -87.21 -22.76 25.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.428 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 25' ' ' THR . 5.3 mmtm -95.68 9.64 39.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.64 126.01 0.02 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.433 ' CD2' HD22 ' A' ' 61' ' ' LEU . 3.9 mp -67.58 -34.88 77.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.63 2.28 56.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.285 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -92.36 161.54 32.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.507 ' O ' ' CG1' ' A' ' 35' ' ' ILE . 18.4 Cg_endo -75.0 98.41 1.16 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.491 1.785 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.507 ' CG1' ' O ' ' A' ' 34' ' ' PRO . 0.2 OUTLIER 163.64 -31.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.461 ' CG2' HG11 ' A' ' 26' ' ' VAL . 66.7 m -59.24 -47.81 83.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.385 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.424 ' CE ' ' HG3' ' A' ' 141' ' ' ARG . 16.8 mmt -64.58 -38.07 89.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.64 -52.62 43.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.423 ' CG ' HD22 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -61.25 -47.48 85.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 36' ' ' THR . 59.9 t -59.97 -45.76 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 45' ' ' SER . 18.6 mt-10 -67.5 -23.79 65.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.258 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.58 -55.39 33.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.432 ' CD1' ' CD2' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -72.51 -49.68 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.505 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 24.4 mtt -65.85 -10.69 40.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 111.029 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 41' ' ' GLU . 11.0 t -36.8 -33.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -107.34 162.67 18.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.011 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 149.68 37.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.463 HD12 ' CG2' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -150.35 173.01 14.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.7 mt -74.55 161.58 77.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.264 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -26.6 10.81 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.502 1.791 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.465 ' O ' ' OG1' ' A' ' 54' ' ' THR . 0.5 OUTLIER -67.95 -48.01 67.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.597 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.68 -31.09 72.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.463 ' CG2' HD12 ' A' ' 48' ' ' LEU . 2.0 t -54.27 -47.72 68.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 51' ' ' HIS . 76.7 p -67.0 -40.14 87.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -62.57 -42.9 99.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.475 HD13 ' CD1' ' A' ' 19' ' ' ILE . 3.9 tp -70.99 -44.47 65.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.562 ' HG2' ' CZ2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -63.77 -28.59 69.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 61' ' ' LEU . 2.7 tmt_? -71.3 -36.3 71.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.2 t -75.5 -48.1 31.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.462 HG12 ' CB ' ' A' ' 23' ' ' ALA . 8.5 mt -73.5 -44.41 53.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 57' ' ' MET . 0.1 OUTLIER -99.92 132.92 44.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.462 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -59.5 172.56 4.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.452 ' O ' ' CB ' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.04 -42.91 0.43 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.492 1.785 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.467 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -61.3 -54.52 52.32 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.0 6.73 3.22 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.509 1.794 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.452 ' CB ' ' O ' ' A' ' 63' ' ' PRO . 5.2 t80 -75.05 -45.67 40.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.5 -29.69 68.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.0 mp -67.09 -47.12 72.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.562 ' CZ2' ' HG2' ' A' ' 57' ' ' MET . 25.1 t90 -70.6 -43.46 69.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 108.023 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.419 ' HE1' ' CZ3' ' A' ' 73' ' ' TRP . 0.4 OUTLIER -59.27 -37.02 76.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -70.89 -46.22 62.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.93 -28.8 66.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.532 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 15.0 t90 -66.85 -44.59 80.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 108.006 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.61 -41.16 93.48 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.18 -47.07 79.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -58.6 -45.89 88.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.455 ' CD2' HD12 ' A' ' 106' ' ' LEU . 2.4 mt -60.7 -46.57 89.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -58.85 -36.69 74.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.46 -36.11 75.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.2 t -71.01 -34.72 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.469 HG13 ' CD1' ' A' ' 103' ' ' LEU . 29.4 mm -71.6 -45.6 66.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.65 -44.0 83.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.44 -45.64 80.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.521 ' HB3' ' CG ' ' A' ' 90' ' ' HIS . . . -68.09 -40.43 82.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.2 m -60.27 -38.39 83.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.413 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -75.07 -43.02 55.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.52 107.48 60.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.444 ' O ' ' CG ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.95 53.98 3.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 88' ' ' PRO . 34.6 mtp180 -160.78 26.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.521 ' CG ' ' HB3' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -78.28 145.15 67.97 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.621 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.406 ' HD2' ' ND1' ' A' ' 90' ' ' HIS . 18.5 Cg_endo -74.94 -21.95 15.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.469 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -73.95 -7.13 51.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.936 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.0 t -72.72 140.89 48.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -127.3 155.19 43.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.469 ' CD1' HG13 ' A' ' 81' ' ' ILE . 5.2 tp -63.36 -37.83 88.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.65 -42.59 99.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -46.43 89.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.455 HD12 ' CD2' ' A' ' 77' ' ' LEU . 6.0 mt -70.85 -21.58 62.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -61.04 -51.51 68.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.361 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.44 ' HA2' ' CE ' ' A' ' 113' ' ' MET . . . 108.51 18.37 9.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.8 tp -105.21 5.97 32.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.87 129.2 41.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -46.26 134.51 8.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.29 -18.59 57.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.44 ' CE ' ' HA2' ' A' ' 108' ' ' GLY . 36.2 mtp -101.18 -33.32 10.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t -70.62 124.61 27.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.24 3.08 65.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -146.6 101.4 4.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -44.92 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -76.49 -26.76 55.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -75.92 -42.5 25.02 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 121' ' ' ALA . 14.4 pt20 -66.29 -38.64 88.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.742 . . . . 0.0 110.338 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 120' ' ' GLN . . . -63.41 -39.51 94.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.21 -22.05 52.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.462 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -79.04 -42.21 27.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.4 mt -73.39 -169.87 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -118.22 157.31 49.32 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 108.24 2.67 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.26 -45.1 0.81 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.469 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 8.3 mt-10 -56.93 -37.89 72.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.52 -45.91 92.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.2 t -59.23 -39.8 79.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.71 86.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 6.4 mt -69.22 -38.92 78.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.42 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 5.9 m -64.59 -48.91 73.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.432 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.37 -48.14 76.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.2 m -60.36 -34.71 74.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.81 -43.12 76.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.505 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -65.7 -40.34 92.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -62.6 -36.88 84.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.479 ' HB3' ' CD1' ' A' ' 69' ' ' TRP . . . -68.42 -27.96 66.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -68.37 -50.26 54.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.132 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.424 ' HG3' ' CE ' ' A' ' 37' ' ' MET . 5.4 mtp180 -61.86 -25.07 67.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -72.51 -35.44 68.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.269 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 30.2 t -81.25 -43.52 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.35 -50.04 75.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' PRO . . . . . 0.441 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' TRP . . . . . 0.646 ' CZ3' ' CD1' ' A' ' 180' ' ' LEU . 27.2 p90 -51.9 -27.39 12.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 108.008 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.91 -32.66 73.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.4 -22.03 41.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.479 HG21 ' CE2' ' A' ' 167' ' ' PHE . 12.8 mt -82.99 120.71 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.616 ' C ' ' CE2' ' A' ' 167' ' ' PHE . 1.5 m -130.49 132.14 45.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.401 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . 0.644 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 0.1 OUTLIER -62.0 121.89 14.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -122.72 156.47 17.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.15 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.78 18.36 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.482 1.78 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 59.6 p -78.98 -23.39 44.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 0.0 110.04 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -113.93 135.64 53.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.39 133.44 55.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . 0.46 ' O ' ' CB ' ' A' ' 168' ' ' ALA . 1.9 t80 -55.85 -39.71 71.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 111.043 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.461 ' CG2' HD11 ' A' ' 223' ' ' LEU . 0.9 OUTLIER -70.99 -52.11 30.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.15 -49.0 75.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.644 ' CZ ' ' N ' ' A' ' 158' ' ' GLN . 5.2 t80 -68.29 -33.59 74.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.464 ' O ' HG12 ' A' ' 172' ' ' ILE . . . -61.95 -51.02 69.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . 0.535 ' HA ' HG12 ' A' ' 172' ' ' ILE . 75.3 m-20 -52.61 -42.6 64.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.243 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -56.82 -36.54 70.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 0.467 ' CD2' ' HB2' ' A' ' 153' ' ' TRP . 0.2 OUTLIER -69.06 -32.25 71.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . 0.535 HG12 ' HA ' ' A' ' 169' ' ' ASN . 2.1 mm -68.42 -43.67 83.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 176' ' ' GLU . 0.0 OUTLIER -67.27 -33.87 76.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.22 -52.87 16.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . 0.457 ' CG1' ' HG3' ' A' ' 185' ' ' ARG . 70.1 t -60.42 -49.17 85.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 173' ' ' LYS . 0.3 OUTLIER -64.98 -31.85 73.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -97.1 23.85 33.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 80.3 p -122.37 166.3 14.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.983 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -80.34 65.32 5.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.646 ' CD1' ' CZ3' ' A' ' 153' ' ' TRP . 15.2 mt -111.54 155.21 43.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 159.71 41.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.781 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 57.47 4.57 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 20.7 t -167.79 -41.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.038 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.497 ' O ' ' CG2' ' A' ' 188' ' ' VAL . . . -71.13 -11.35 60.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . 0.457 ' HG3' ' CG1' ' A' ' 175' ' ' VAL . 0.6 OUTLIER -80.88 65.19 5.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 110.346 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.557 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 179.09 -59.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 187' ' ' PRO . . . . . 0.557 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.1 Cg_endo -75.04 -28.53 9.02 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 184' ' ' ALA . 66.5 t -67.44 -38.9 81.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 189' ' ' ILE . . . . . 0.486 HG23 ' CD1' ' A' ' 172' ' ' ILE . 7.7 mt -67.5 -48.61 76.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 190' ' ' ILE . . . . . 0.475 ' CD1' ' N ' ' A' ' 214' ' ' THR . 63.8 mt -66.02 -35.88 76.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.175 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -40.15 89.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 192' ' ' CYS . . . . . 0.402 ' HA ' ' HB2' ' A' ' 195' ' ' GLN . 24.0 m -54.24 -43.65 71.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.316 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 193' ' ' PHE . . . . . 0.431 ' O ' ' OG ' ' A' ' 197' ' ' SER . 17.4 m-30 -59.4 -50.35 74.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 194' ' ' ARG . . . . . 0.475 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 0.0 OUTLIER -87.18 19.71 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . 0.402 ' HB2' ' HA ' ' A' ' 192' ' ' CYS . 3.3 mt-30 -106.39 -32.31 8.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.253 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.57 73.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 197' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 193' ' ' PHE . 38.3 p -142.8 163.1 33.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 198' ' ' GLN . . . . . 0.41 ' O ' ' CB ' ' A' ' 202' ' ' GLN . 2.4 mp0 -43.79 167.07 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -37.35 2.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -49.14 70.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 8.4 mm -68.99 -35.99 71.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 202' ' ' GLN . . . . . 0.421 ' NE2' ' HB2' ' A' ' 194' ' ' ARG . 9.7 tp60 -70.43 -48.53 55.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -61.41 -27.86 68.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . 0.569 HD21 ' CE2' ' A' ' 221' ' ' TYR . 0.2 OUTLIER -67.28 -51.09 57.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 194' ' ' ARG . 0.5 OUTLIER -65.54 -44.09 94.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -62.86 -33.26 74.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -91.59 -5.57 53.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 208' ' ' ALA . . . . . . . . . . . . . . . -64.41 155.65 79.67 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 209' ' ' PRO . . . . . 0.459 ' HD2' ' CD1' ' A' ' 212' ' ' LEU . 18.3 Cg_endo -74.99 146.91 33.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 1.5 p -66.12 -9.73 34.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 211' ' ' THR . . . . . 0.432 ' CG2' ' CD2' ' A' ' 212' ' ' LEU . 14.9 t -72.74 -12.28 60.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.432 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 212' ' ' LEU . . . . . 0.55 ' O ' ' CG2' ' A' ' 213' ' ' THR . 1.0 OUTLIER -111.36 135.27 52.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 213' ' ' THR . . . . . 0.55 ' CG2' ' O ' ' A' ' 212' ' ' LEU . 0.7 OUTLIER -167.13 30.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.38 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 214' ' ' THR . . . . . 0.475 ' N ' ' CD1' ' A' ' 190' ' ' ILE . 14.6 p -129.19 154.58 80.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 55.02 3.82 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.46 1.768 . . . . 0.0 111.041 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -161.3 -51.23 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 217' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 217' ' ' GLU . 0.8 OUTLIER -73.67 -34.27 64.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 110.323 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 218' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 212' ' ' LEU . 1.1 mp -63.09 -44.83 99.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 219' ' ' ILE . . . . . 0.432 ' CG2' HG22 ' A' ' 165' ' ' VAL . 4.4 mt -73.75 -45.27 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.36 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -56.7 -38.04 71.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.569 ' CE2' HD21 ' A' ' 204' ' ' LEU . 7.1 t80 -74.23 -45.46 47.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 2.6 t -59.75 -49.47 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.461 HD11 ' CG2' ' A' ' 165' ' ' VAL . 78.4 mt -61.53 -42.53 98.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.58 -31.02 71.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 225' ' ' ARG . . . . . 0.464 ' CD ' HD13 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -79.68 -37.65 35.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.539 ' OE2' ' CD1' ' A' ' 18' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.78 2.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -58.61 -46.47 86.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.539 ' CD1' ' OE2' ' A' ' 15' ' ' GLU . 56.1 mt -70.31 -48.28 57.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.489 HG22 ' CD1' ' A' ' 56' ' ' LEU . 46.1 mt -57.62 -41.01 78.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -69.38 -38.08 77.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.397 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -64.69 -49.43 70.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.352 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.57 -42.71 82.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.436 ' CB ' HG11 ' A' ' 59' ' ' VAL . . . -59.87 -34.62 73.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -62.78 -44.71 95.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 29' ' ' LYS . 1.3 m -62.44 -37.42 85.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.454 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.459 HG13 ' CG2' ' A' ' 36' ' ' THR . 55.9 t -58.29 -41.64 81.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.1 ttm-85 -67.03 -48.8 67.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.5 p -69.65 -21.28 63.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HB3' ' CG2' ' A' ' 35' ' ' ILE . 17.8 mmtt -94.76 -13.95 25.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.87 122.16 3.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.553 HD22 ' CE1' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -66.72 -23.9 66.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.771 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.39 2.35 56.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.78 165.47 22.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.968 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -40.04 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.502 1.79 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -47.38 -31.6 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.459 ' CG2' HG13 ' A' ' 26' ' ' VAL . 1.2 m -62.57 -49.09 76.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.389 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -40.11 95.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.05 -45.44 73.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.444 ' OE2' ' CG2' ' A' ' 25' ' ' THR . 11.0 mt-10 -61.68 -47.86 83.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.495 ' CG1' ' SD ' ' A' ' 44' ' ' MET . 35.4 t -59.95 -44.98 95.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.5 mt-10 -66.97 -23.67 65.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.55 -55.49 26.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.541 ' CD1' ' CD2' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -72.87 -42.58 63.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.513 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 29.6 mtt -71.89 -10.29 59.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 41' ' ' GLU . 94.3 p -37.42 -31.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -108.1 165.95 11.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 149.43 36.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.798 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.473 HD11 ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -150.33 165.61 32.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.478 HD23 ' CD2' ' A' ' 129' ' ' LEU . 10.5 mt -67.67 163.33 49.59 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.02 -31.19 6.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.79 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.445 ' O ' ' OG1' ' A' ' 54' ' ' THR . 2.5 t60 -67.87 -42.37 81.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.608 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.52 -31.15 72.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.473 ' CG2' HD11 ' A' ' 48' ' ' LEU . 55.3 t -59.36 -47.61 89.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.505 ' CG2' ' CE ' ' A' ' 70' ' ' MET . 16.1 p -66.51 -38.81 88.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -43.62 90.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.541 ' CD2' ' CD1' ' A' ' 43' ' ' LEU . 6.6 tp -66.32 -50.66 62.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.518 ' HG3' ' CE2' ' A' ' 69' ' ' TRP . 11.6 mmt -57.09 -42.33 80.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 111.045 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 61' ' ' LEU . 3.5 ttt180 -56.3 -36.2 68.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.436 HG11 ' CB ' ' A' ' 23' ' ' ALA . 53.5 t -75.15 -46.32 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.547 HG23 ' CZ ' ' A' ' 140' ' ' PHE . 35.6 mt -63.71 -44.43 98.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 57' ' ' MET . 0.5 OUTLIER -122.12 131.74 54.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.585 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -50.14 -176.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.451 1.095 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.405 ' HA ' ' HB3' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.97 -24.82 12.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.539 1.81 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.506 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -64.64 -56.39 22.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.585 ' HD2' ' C ' ' A' ' 62' ' ' GLY . 18.4 Cg_endo -74.97 -22.18 15.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.548 ' CZ ' ' SD ' ' A' ' 70' ' ' MET . 3.4 t80 -54.75 -45.06 74.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.66 -30.14 71.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 143' ' ' VAL . 8.8 mp -70.94 -37.48 72.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.721 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 7.8 t90 -71.27 -34.44 70.69 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.548 ' SD ' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -65.86 -37.45 86.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -67.15 -47.35 71.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.17 -43.44 82.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.721 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 12.8 t90 -54.52 -38.61 66.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 108.003 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.67 -44.63 97.65 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.537 1.148 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.6 t -68.58 -46.99 79.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -57.53 -46.26 84.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.564 ' CD2' ' CD1' ' A' ' 106' ' ' LEU . 4.4 mt -60.53 -45.81 92.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.431 ' N ' HD12 ' A' ' 103' ' ' LEU . 58.1 mt-30 -62.61 -29.23 70.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.405 ' O ' ' CB ' ' A' ' 83' ' ' ALA . 0.8 OUTLIER -64.99 -34.83 79.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.381 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 37.6 t -68.11 -50.71 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.458 HG13 ' CG2' ' A' ' 101' ' ' THR . 1.6 mp -63.17 -49.95 81.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.55 -39.51 84.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.446 ' CB ' ' CD2' ' A' ' 90' ' ' HIS . . . -58.7 -48.18 81.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 90' ' ' HIS . . . -65.74 -40.29 91.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.5 m -61.12 -39.82 91.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -74.97 -43.35 54.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -132.9 120.82 16.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.89 3.77 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 111.017 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.03 6.36 6.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.474 ' HB2' ' CB ' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -85.26 134.11 41.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.613 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.462 ' O ' ' NH2' ' A' ' 125' ' ' ARG . 18.1 Cg_endo -75.0 -21.09 16.21 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.9 -16.1 26.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.45 ' O ' ' OD1' ' A' ' 93' ' ' ASN . 46.3 p-10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.458 ' CG2' HG13 ' A' ' 81' ' ' ILE . 14.4 t -71.26 164.45 25.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.361 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -144.35 151.05 38.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 78' ' ' GLN . 6.1 tp -63.88 -45.93 87.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.508 ' HA ' ' CG ' ' A' ' 107' ' ' LYS . 0.2 OUTLIER -55.26 -37.63 67.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -36.34 61.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.564 ' CD1' ' CD2' ' A' ' 77' ' ' LEU . 69.8 mt -87.65 -26.17 23.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.508 ' CG ' ' HA ' ' A' ' 104' ' ' ASP . 9.0 mmtt -50.05 -43.81 51.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 101.78 -1.91 52.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.438 1.087 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.413 HD13 ' CG1' ' A' ' 114' ' ' VAL . 0.2 OUTLIER -81.71 3.96 23.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 0.796 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.469 ' HB2' ' CE ' ' A' ' 113' ' ' MET . . . -58.13 132.98 55.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.38 123.77 9.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.088 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.08 -17.8 58.62 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.54 1.15 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.477 ' HG3' ' CD1' ' A' ' 123' ' ' LEU . 26.0 mtp -101.67 -5.15 25.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 0.742 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.413 ' CG1' HD13 ' A' ' 109' ' ' LEU . 2.1 t -96.18 128.95 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 76.93 3.16 80.06 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.472 1.108 . . . . 0.0 111.03 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -129.3 110.98 18.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -80.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -54.98 -33.45 62.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.92 -42.09 95.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -62.53 -44.91 95.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 124' ' ' LEU . . . -65.62 -28.96 69.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.94 -14.34 59.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' A' ' 113' ' ' MET . 0.8 OUTLIER -89.04 -20.79 23.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.442 ' CD2' ' SD ' ' A' ' 113' ' ' MET . 0.2 OUTLIER -124.82 127.42 47.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.462 ' NH2' ' O ' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -55.73 159.74 4.86 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.243 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 125' ' ' ARG . 18.4 Cg_endo -74.99 107.85 2.58 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.488 1.783 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 171.42 -45.03 0.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.22 -31.8 72.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.288 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.478 ' CD2' HD23 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -60.71 -43.5 97.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.43 -39.8 80.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.36 96.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 13.5 mt -69.41 -38.67 77.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.47 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 32.0 m -67.89 -39.7 83.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.417 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.6 -46.1 70.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.1 m -66.91 -33.73 76.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.71 -42.62 97.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.513 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -69.49 -34.02 73.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -69.66 -41.3 75.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.9 -33.54 74.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.553 ' CE1' HD22 ' A' ' 31' ' ' LEU . 8.0 t80 -64.52 -60.57 2.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -52.84 -24.9 9.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -69.91 -40.21 75.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 4.9 t -72.35 -35.89 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -70.12 -49.92 45.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.351 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 155' ' ' ASP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' TRP . . . . . 0.603 ' CZ3' ' CD1' ' A' ' 180' ' ' LEU . 5.6 p90 -51.6 -31.92 26.81 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.66 -32.77 73.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 152' ' ' PRO . 0.5 OUTLIER -79.72 -21.79 44.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.528 HG23 ' CE1' ' A' ' 167' ' ' PHE . 17.2 mt -82.1 120.85 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.601 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 21.8 p -125.22 145.01 50.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . 0.582 ' CG ' ' CD2' ' A' ' 167' ' ' PHE . 0.1 OUTLIER -85.96 129.44 34.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -126.1 166.25 18.95 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -27.51 9.9 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.447 1.762 . . . . 0.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.35 -23.11 60.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.586 1.179 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -108.52 135.12 50.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.94 135.08 56.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -56.52 -49.22 75.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.449 ' CG2' HG21 ' A' ' 219' ' ' ILE . 0.5 OUTLIER -66.92 -42.43 88.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -58.14 -47.9 81.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.601 ' CE1' ' C ' ' A' ' 157' ' ' THR . 12.9 t80 -67.34 -42.74 83.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 193' ' ' PHE . . . -55.47 -34.12 64.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -67.28 -51.44 52.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -37.39 77.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 0.566 HD13 ' CE2' ' A' ' 167' ' ' PHE . 3.8 tt -70.28 -45.62 65.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . 0.447 ' CG1' HG22 ' A' ' 189' ' ' ILE . 37.4 mt -59.41 -49.25 84.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -37.72 77.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . 0.514 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -65.59 -51.78 57.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . 0.449 HG23 ' CG1' ' A' ' 189' ' ' ILE . 48.5 t -57.27 -47.91 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -54.32 -36.45 63.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.244 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -99.94 32.62 7.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 60.0 p -124.67 165.86 17.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.767 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 36.0 p-10 -84.58 85.66 7.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.603 ' CD1' ' CZ3' ' A' ' 153' ' ' TRP . 13.0 mt -130.75 152.4 80.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 162.18 37.61 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 72.7 4.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.29 -33.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -80.65 -11.71 59.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -84.21 70.05 10.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.512 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 175.46 -57.39 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 187' ' ' PRO . . . . . 0.512 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.4 Cg_endo -74.98 -26.91 10.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.455 1.766 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.401 ' O ' ' SG ' ' A' ' 192' ' ' CYS . 72.9 t -67.94 -40.29 83.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 189' ' ' ILE . . . . . 0.449 ' CG1' HG23 ' A' ' 175' ' ' VAL . 23.7 mt -66.96 -48.23 80.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 190' ' ' ILE . . . . . 0.496 ' CD1' ' C ' ' A' ' 213' ' ' THR . 68.6 mt -65.65 -43.01 93.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 191' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 195' ' ' GLN . 50.6 t0 -63.27 -38.1 89.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 192' ' ' CYS . . . . . 0.421 ' HA ' ' HB2' ' A' ' 195' ' ' GLN . 12.4 m -53.32 -46.21 69.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 108.33 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 193' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 168' ' ' ALA . 11.7 m-30 -57.74 -48.92 78.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.91 16.73 4.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . 0.421 ' HB2' ' HA ' ' A' ' 192' ' ' CYS . 0.0 OUTLIER -96.82 -48.21 5.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 110.334 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm -156.01 67.56 0.61 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 197' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 198' ' ' GLN . 2.3 m -141.95 165.31 27.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 198' ' ' GLN . . . . . 0.431 ' HG2' ' HB ' ' A' ' 201' ' ' ILE . 0.0 OUTLIER -36.66 154.2 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -34.2 4.04 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.519 1.8 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.99 -50.73 72.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.473 ' CD1' HG11 ' A' ' 222' ' ' VAL . 3.9 mm -69.33 -45.57 78.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -58.94 -40.98 86.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -65.27 -38.85 91.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . 0.576 ' CD2' ' CZ ' ' A' ' 221' ' ' TYR . 0.5 OUTLIER -63.78 -49.07 74.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -63.92 -39.68 86.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -63.83 -33.85 76.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -89.96 4.91 48.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 208' ' ' ALA . . . . . . . . . . . . . . . -62.39 155.53 66.58 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 209' ' ' PRO . . . . . 0.461 ' HG2' ' CD1' ' A' ' 212' ' ' LEU . 18.3 Cg_endo -75.04 155.48 42.75 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.435 1.755 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.18 23.93 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.966 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 2.5 m -111.6 -3.15 15.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 212' ' ' LEU . . . . . 0.49 ' O ' ' CG2' ' A' ' 213' ' ' THR . 0.4 OUTLIER -148.2 140.33 24.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 213' ' ' THR . . . . . 0.496 ' C ' ' CD1' ' A' ' 190' ' ' ILE . 2.3 p -160.09 45.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.43 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 82.6 p -119.44 157.49 51.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.406 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 55.12 3.83 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.502 1.79 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -158.01 -57.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -73.96 -33.17 63.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 218' ' ' ILE . . . . . 0.45 ' CD1' HD13 ' A' ' 212' ' ' LEU . 1.3 mp -64.95 -38.6 83.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 219' ' ' ILE . . . . . 0.449 HG21 ' CG2' ' A' ' 165' ' ' VAL . 6.4 mt -75.56 -50.35 24.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.43 -37.19 69.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.576 ' CZ ' ' CD2' ' A' ' 204' ' ' LEU . 0.4 OUTLIER -65.86 -50.07 65.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 111.0 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . 0.473 HG11 ' CD1' ' A' ' 201' ' ' ILE . 12.2 t -62.21 -42.81 96.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.22 -35.89 82.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -71.6 -34.32 69.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.352 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -40.64 62.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.238 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.301 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -43.38 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.46 1.768 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.503 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -58.27 -35.94 72.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.503 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 62.8 mt -73.4 -47.87 38.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.6 mt -59.92 -36.0 64.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 m -65.57 -43.1 90.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.42 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -67.18 -48.9 66.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.462 ' CD2' ' HG2' ' A' ' 39' ' ' GLU . 0.6 OUTLIER -63.08 -46.83 85.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.425 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -60.28 -31.97 70.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -61.64 -38.26 87.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 29' ' ' LYS . 1.1 m -66.47 -37.51 85.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.478 ' CG2' HG23 ' A' ' 36' ' ' THR . 7.0 t -56.74 -45.41 82.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -48.49 81.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.7 p -67.96 -32.02 72.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 33' ' ' SER . 22.9 mmtm -82.62 -14.12 55.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 81.72 127.18 0.91 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -24.94 66.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.05 -5.2 58.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -102.44 169.41 7.59 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.025 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.451 ' O ' ' HB ' ' A' ' 35' ' ' ILE . 18.5 Cg_endo -75.0 -169.99 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.49 1.784 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.451 ' HB ' ' O ' ' A' ' 34' ' ' PRO . 0.2 OUTLIER 77.68 -41.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.529 ' CG2' ' CZ ' ' A' ' 140' ' ' PHE . 28.0 m -56.71 -42.64 79.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.425 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -43.6 98.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.42 -41.11 73.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.462 ' HG2' ' CD2' ' A' ' 22' ' ' LEU . 3.2 mt-10 -59.91 -44.95 93.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.511 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 96.3 t -66.88 -49.02 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.12 -23.17 61.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.45 -55.91 7.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 1.4 pp -68.21 -47.55 67.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.503 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -73.92 -9.76 58.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 44' ' ' MET . 8.8 t -35.68 -39.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 44' ' ' MET . 0.3 OUTLIER -98.5 164.01 17.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.975 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 150.16 37.56 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -154.24 165.97 34.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.432 ' N ' HD23 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -67.84 165.11 34.31 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -29.68 8.04 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.437 1.756 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.458 ' O ' ' OG1' ' A' ' 54' ' ' THR . 12.2 t60 -67.89 -40.43 83.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.598 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 0.7 OUTLIER -65.09 -31.48 72.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.505 HG12 ' CH2' ' A' ' 69' ' ' TRP . 17.0 t -60.95 -46.98 95.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 51' ' ' HIS . 33.6 p -66.74 -41.5 87.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.375 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.432 ' C ' ' ND2' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -66.02 -41.93 90.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.471 HD23 ' CD1' ' A' ' 43' ' ' LEU . 4.3 tp -66.89 -50.98 60.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.524 ' HG3' ' CE2' ' A' ' 69' ' ' TRP . 12.8 mmt -57.32 -43.43 83.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.13 -36.66 65.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.54 -34.31 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.425 HG12 ' CB ' ' A' ' 23' ' ' ALA . 40.8 mt -78.86 -44.32 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 57' ' ' MET . 0.1 OUTLIER -124.79 134.82 52.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.493 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -61.46 -162.5 0.19 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -21.38 16.09 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.538 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -71.5 -58.45 3.73 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.538 ' HD3' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.99 5.34 4.04 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 0.8 OUTLIER -77.6 -51.31 10.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.956 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.18 -31.39 68.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.421 ' HB3' ' CG2' ' A' ' 143' ' ' VAL . 7.5 mp -65.59 -47.98 73.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.746 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 49.6 t90 -71.0 -38.99 72.68 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -43.39 94.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -65.05 -45.17 86.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.03 -28.96 65.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.746 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 12.9 t90 -71.2 -41.51 70.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 107.992 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.65 -42.91 99.47 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.5 t -68.26 -46.93 80.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.413 ' NE2' ' HA ' ' A' ' 76' ' ' GLN . 1.6 mp0 -58.52 -46.47 86.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.449 ' CD2' HD11 ' A' ' 106' ' ' LEU . 3.2 mt -63.09 -45.85 90.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -58.62 -30.23 67.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.408 ' O ' ' CB ' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -67.72 -36.28 80.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.1 t -71.47 -39.26 70.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.486 ' HA ' ' CG2' ' A' ' 101' ' ' THR . 47.5 mm -64.39 -50.2 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.49 -34.31 76.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 79' ' ' THR . . . -65.66 -35.61 81.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.461 ' HA ' ' CB ' ' A' ' 90' ' ' HIS . . . -67.82 -46.16 72.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -35.58 81.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.403 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -76.06 -43.55 43.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -111.02 116.66 51.38 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -1.13 10.81 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.521 1.801 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -99.44 24.3 8.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.461 ' CB ' ' HA ' ' A' ' 84' ' ' ALA . 1.0 OUTLIER -92.83 128.3 44.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.602 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.45 14.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.415 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -62.18 -23.67 66.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.424 ' ND2' ' HB3' ' A' ' 90' ' ' HIS . 23.1 p30 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.486 ' CG2' ' HA ' ' A' ' 81' ' ' ILE . 5.5 t -70.9 170.11 13.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.8 137.69 29.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.465 ' CD1' HG13 ' A' ' 81' ' ' ILE . 7.0 tp -56.5 -35.84 68.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -65.79 -43.65 88.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? -59.99 -46.82 88.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.449 HD11 ' CD2' ' A' ' 77' ' ' LEU . 9.7 mt -71.22 -23.87 62.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -51.9 68.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.467 ' HA2' ' CE ' ' A' ' 113' ' ' MET . . . 114.08 16.77 7.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -100.45 4.83 44.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.38 147.61 30.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -59.24 122.66 14.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.262 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.71 -5.1 84.95 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.543 1.152 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.482 ' HA ' ' CB ' ' A' ' 120' ' ' GLN . 1.3 ttt -86.83 -31.81 20.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.76 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -98.22 136.18 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.69 3.38 64.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -153.67 106.97 2.53 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.465 0.744 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.417 ' O ' ' HG2' ' A' ' 120' ' ' GLN . 18.2 Cg_endo -75.01 -49.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.449 1.762 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -77.83 -27.92 50.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.354 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -74.63 -43.19 30.22 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.473 1.108 . . . . 0.0 111.067 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.482 ' CB ' ' HA ' ' A' ' 113' ' ' MET . 6.7 pt20 -66.48 -44.41 82.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 0.725 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' A' ' 120' ' ' GLN . . . -57.79 -36.02 71.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.42 -18.11 57.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.491 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 6.9 tt -80.12 -16.1 55.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' A' ' 121' ' ' ALA . 0.1 OUTLIER -127.88 127.1 42.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.67 157.16 1.99 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 108.68 2.77 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.552 1.817 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.25 -46.73 0.3 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.577 1.173 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.415 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 12.4 mt-10 -58.71 -32.58 69.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.29 -47.04 86.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 64.0 t -58.81 -39.63 77.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.89 -41.3 97.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.3 mt -69.18 -38.53 78.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 87.8 m -67.03 -41.85 85.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.38 -48.32 61.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.2 m -63.03 -34.05 76.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 110.042 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.78 -43.08 89.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -36.1 83.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.125 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -63.36 -37.36 86.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.536 ' HB2' ' CD1' ' A' ' 69' ' ' TRP . . . -67.61 -29.2 68.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.071 . . . . 0.0 109.355 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.529 ' CZ ' ' CG2' ' A' ' 36' ' ' THR . 2.2 t80 -66.28 -47.97 71.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -63.56 -25.45 68.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -71.48 -42.09 68.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.421 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 31.2 t -69.14 -43.43 81.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.06 -19.96 61.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 155' ' ' ASP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 110.96 -0.438 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' TRP . . . . . 0.595 ' CZ3' ' CD1' ' A' ' 180' ' ' LEU . 3.2 p90 -51.95 -28.97 18.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 108.022 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.23 -32.96 74.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 152' ' ' PRO . 1.3 p30 -82.47 -21.05 35.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.579 HG22 ' CZ ' ' A' ' 167' ' ' PHE . 40.4 mt -76.37 120.8 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.456 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 3.2 m -120.62 130.43 54.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.442 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . 0.575 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 27.9 tp60 -70.39 130.3 41.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -122.7 154.05 16.97 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -17.75 19.25 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.8 -22.17 31.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.67 135.23 44.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.72 138.88 55.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 110.026 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . 0.46 ' CE2' HG21 ' A' ' 219' ' ' ILE . 0.8 OUTLIER -59.74 -39.1 83.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.452 HG23 ' CG2' ' A' ' 219' ' ' ILE . 1.7 t -71.26 -48.5 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.33 -43.32 78.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.579 ' CZ ' HG22 ' A' ' 156' ' ' ILE . 90.7 t80 -69.7 -34.98 74.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -61.63 -43.05 99.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -61.0 -46.53 90.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 61.6 mtt-85 -59.78 -37.34 78.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 0.573 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.4 OUTLIER -70.44 -47.21 61.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 45.1 mt -59.39 -41.5 84.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -64.31 -36.6 84.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . 0.462 ' CB ' HD11 ' A' ' 156' ' ' ILE . . . -68.83 -52.98 24.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . . . . . . . . . 56.0 t -57.15 -48.16 82.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -53.02 -34.93 58.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -107.45 34.55 5.6 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.477 1.11 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 52.9 p -123.8 166.18 16.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.776 . . . . 0.0 110.015 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.81 87.69 7.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.595 ' CD1' ' CZ3' ' A' ' 153' ' ' TRP . 18.1 mt -130.42 154.52 81.58 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 164.78 32.63 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.789 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 182' ' ' PRO . . . . . 0.471 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.5 Cg_endo -74.97 79.0 2.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 0.0 111.048 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 183' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.6 OUTLIER 161.6 -27.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.401 ' C ' ' HD2' ' A' ' 187' ' ' PRO . . . -80.61 -11.6 59.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -85.41 70.17 10.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.5 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 173.28 -56.66 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 187' ' ' PRO . . . . . 0.5 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.1 Cg_endo -75.04 -32.03 5.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 30.6 t -65.03 -42.44 94.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 189' ' ' ILE . . . . . 0.565 HG21 ' CZ ' ' A' ' 193' ' ' PHE . 42.5 mt -68.15 -45.23 83.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 190' ' ' ILE . . . . . 0.472 ' CD1' ' N ' ' A' ' 214' ' ' THR . 71.2 mt -63.57 -45.21 98.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 191' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 195' ' ' GLN . 36.6 t70 -59.75 -37.41 78.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 192' ' ' CYS . . . . . 0.45 ' HB3' ' CD1' ' A' ' 171' ' ' LEU . 55.7 m -56.99 -40.97 77.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 108.312 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 193' ' ' PHE . . . . . 0.565 ' CZ ' HG21 ' A' ' 189' ' ' ILE . 9.1 m-30 -64.98 -27.14 68.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 194' ' ' ARG . . . . . 0.515 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 0.0 OUTLIER -117.79 27.7 8.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 191' ' ' ASP . 4.1 tm0? -119.59 -40.98 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 196' ' ' LYS . . . . . 0.446 ' CD ' HG21 ' A' ' 157' ' ' THR . 0.2 OUTLIER -115.23 -50.36 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 197' ' ' SER . . . . . 0.468 ' CB ' ' HG2' ' A' ' 158' ' ' GLN . 0.7 OUTLIER -37.39 155.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.449 1.093 . . . . 0.0 109.984 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 198' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 197' ' ' SER . 1.2 mp0 -45.19 170.45 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 199' ' ' PRO . . . . . 0.429 ' O ' ' HG3' ' A' ' 202' ' ' GLN . 18.3 Cg_endo -75.02 -32.47 5.33 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -41.37 95.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 7.2 mm -73.44 -46.08 50.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 202' ' ' GLN . . . . . 0.563 ' HG3' ' N ' ' A' ' 203' ' ' GLN . 0.0 OUTLIER -62.24 -36.15 81.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 203' ' ' GLN . . . . . 0.563 ' N ' ' HG3' ' A' ' 202' ' ' GLN . 3.7 mm100 -64.57 -34.59 78.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . 0.438 HD21 ' CE2' ' A' ' 221' ' ' TYR . 0.3 OUTLIER -64.93 -49.96 68.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.515 ' CG2' ' HB3' ' A' ' 194' ' ' ARG . 0.3 OUTLIER -63.51 -46.36 95.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 206' ' ' ARG . . . . . 0.431 ' NH1' ' OE1' ' A' ' 203' ' ' GLN . 0.0 OUTLIER -61.6 -33.51 74.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -88.12 -6.17 58.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 208' ' ' ALA . . . . . 0.441 ' HA ' ' CZ ' ' A' ' 221' ' ' TYR . . . -61.78 159.74 32.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 209' ' ' PRO . . . . . 0.457 ' HD2' ' CD1' ' A' ' 212' ' ' LEU . 18.2 Cg_endo -74.95 148.59 35.74 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -8.45 31.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.977 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 211' ' ' THR . . . . . 0.526 ' CG2' ' CD2' ' A' ' 212' ' ' LEU . 13.0 t -73.97 -13.23 60.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 212' ' ' LEU . . . . . 0.532 ' O ' ' CG2' ' A' ' 213' ' ' THR . 0.6 OUTLIER -112.62 133.04 54.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 213' ' ' THR . . . . . 0.532 ' CG2' ' O ' ' A' ' 212' ' ' LEU . 1.1 p -163.27 34.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.439 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 214' ' ' THR . . . . . 0.472 ' N ' ' CD1' ' A' ' 190' ' ' ILE . 1.8 p -129.89 155.4 80.59 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.42 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.09 3.85 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.475 1.776 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -162.72 -61.53 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.534 1.147 . . . . 0.0 111.018 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 217' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' A' ' 217' ' ' GLU . 2.7 mp0 -61.97 -33.24 73.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 218' ' ' ILE . . . . . 0.467 HG21 ' CG1' ' A' ' 205' ' ' ILE . 1.1 mp -62.15 -42.42 95.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 219' ' ' ILE . . . . . 0.46 HG21 ' CE2' ' A' ' 164' ' ' PHE . 3.9 mt -75.49 -48.74 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.27 -34.71 64.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.441 ' CZ ' ' HA ' ' A' ' 208' ' ' ALA . 11.4 t80 -74.26 -46.07 43.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 4.0 t -60.61 -42.3 91.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.427 ' CD1' HG21 ' A' ' 165' ' ' VAL . 93.6 mt -67.12 -36.49 82.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.587 1.18 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.99 -38.16 85.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.36 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 225' ' ' ARG . . . . . 0.414 ' CD ' HD22 ' A' ' 204' ' ' LEU . 0.8 OUTLIER -75.83 -36.89 59.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 11.2 m-90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.441 ' O ' ' CG2' ' A' ' 12' ' ' THR . 13.9 t -113.71 105.98 54.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.444 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 125.37 9.29 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.794 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.478 ' CD2' ' CD1' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -84.63 154.17 22.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.474 ' HG3' ' CD1' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -84.03 114.57 55.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 20' ' ' THR . 18.2 Cg_endo -74.99 -23.68 13.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.487 1.783 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 58.8 pttt -57.4 -44.89 84.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.474 ' CD1' ' HG3' ' A' ' 15' ' ' GLU . 34.2 mt -65.53 -47.79 74.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.478 ' CD1' ' CD2' ' A' ' 14' ' ' LEU . 14.1 mt -63.5 -35.68 73.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 16' ' ' PRO . 3.3 m -61.45 -42.96 99.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.431 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.489 ' CG ' ' N ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.59 -42.75 98.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.489 ' N ' ' CG ' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -67.2 -45.5 76.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.92 -31.24 72.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.473 ' O ' ' CG2' ' A' ' 28' ' ' THR . 5.5 t70 -60.8 -42.36 97.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.506 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.9 m -65.59 -38.05 88.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.404 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.472 HG12 ' CG2' ' A' ' 36' ' ' THR . 52.5 t -60.53 -49.08 85.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -45.72 91.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.473 ' CG2' ' O ' ' A' ' 24' ' ' ASP . 70.4 p -63.99 -30.37 71.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 25' ' ' THR . 12.9 mmtt -88.52 -14.36 37.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 102.65 127.25 6.05 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.411 ' CD2' HG11 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -67.32 -30.12 69.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 109.306 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.493 ' CZ ' ' O ' ' A' ' 144' ' ' ALA . 3.8 mtt-85 -89.01 2.19 54.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.72 163.57 43.39 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.974 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.431 ' C ' ' N ' ' A' ' 36' ' ' THR . 18.4 Cg_endo -74.98 -38.23 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.807 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.469 HG23 ' CG ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -45.25 -26.18 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.472 ' CG2' HG12 ' A' ' 26' ' ' VAL . 87.6 m -58.31 -49.19 78.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.378 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 18.2 mmt -64.39 -32.55 74.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.06 -52.38 24.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.14 -47.47 84.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.446 ' CG1' ' SD ' ' A' ' 44' ' ' MET . 56.3 t -60.38 -44.11 95.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 45' ' ' SER . 37.6 mt-10 -66.27 -24.4 66.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.31 -55.02 28.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.244 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.491 ' CD1' ' CD2' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -72.04 -48.93 40.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.488 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 24.2 mtt -68.5 -10.59 56.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' GLU . 11.3 t -37.2 -32.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -106.97 164.82 14.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 149.18 36.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.516 ' CD1' ' CG2' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -146.83 -173.29 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.7 163.29 30.82 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -32.44 5.48 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -67.29 -48.88 66.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -63.22 -32.66 74.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.542 HG12 ' CH2' ' A' ' 69' ' ' TRP . 2.4 t -55.02 -46.34 77.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.6 p -66.59 -40.71 89.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -62.17 -40.78 97.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.491 ' CD2' ' CD1' ' A' ' 43' ' ' LEU . 7.0 tp -66.79 -53.59 31.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.504 ' O ' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -56.98 -40.15 76.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.968 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -57.53 -35.65 70.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.4 t -74.61 -40.14 47.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.407 HG21 ' CE2' ' A' ' 140' ' ' PHE . 2.4 mt -71.16 -44.62 73.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.504 ' CD2' ' O ' ' A' ' 57' ' ' MET . 0.4 OUTLIER -120.42 135.0 55.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.574 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -49.05 -179.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.579 1.174 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -23.89 13.37 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.544 1.813 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.498 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -65.21 -56.4 20.2 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.574 ' HD2' ' C ' ' A' ' 62' ' ' GLY . 18.3 Cg_endo -75.05 -22.14 15.04 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.506 1.793 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.444 ' OH ' ' CE ' ' A' ' 70' ' ' MET . 33.5 t80 -54.51 -46.85 73.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.78 -37.66 87.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.473 ' CB ' HG23 ' A' ' 143' ' ' VAL . 6.8 mp -63.74 -31.26 72.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.689 ' CH2' ' CE3' ' A' ' 73' ' ' TRP . 38.4 t90 -70.33 -34.66 72.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 107.975 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.444 ' CE ' ' OH ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -62.63 -42.16 99.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -63.37 -46.95 84.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.13 71.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.689 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 11.5 t90 -66.06 -41.17 91.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 108.004 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.441 ' O ' ' NE2' ' A' ' 78' ' ' GLN . . . -58.96 -45.64 94.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.14 -47.53 78.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -56.21 -42.73 77.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.1 mt -64.88 -46.24 82.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 74' ' ' GLY . 25.3 mt-30 -59.84 -37.59 79.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.1 -35.62 79.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.396 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.66 -38.5 73.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.448 ' CD1' HG23 ' A' ' 101' ' ' THR . 29.5 mm -64.75 -48.98 82.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.25 -39.72 89.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.05 79.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.404 ' HB1' ' CB ' ' A' ' 90' ' ' HIS . . . -61.52 -37.09 82.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.8 m -67.41 -37.9 83.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.414 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -74.99 -39.07 61.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.17 105.94 48.08 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.15 3.56 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -153.48 22.49 0.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.404 ' CB ' ' HB1' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -77.73 142.22 65.45 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.602 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -22.04 15.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.802 . . . . 0.0 111.045 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.61 -9.28 58.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -80.4 149.83 30.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -43.63 -54.85 5.59 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -165.03 -43.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -135.16 -161.24 9.3 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -80.5 0.07 35.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 0.0 110.299 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -82.12 -52.71 3.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.508 1.13 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.17 -55.98 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.744 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 64.09 132.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.448 HG23 ' CD1' ' A' ' 81' ' ' ILE . 7.9 t -72.84 155.56 39.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.404 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -137.2 149.64 47.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.416 HD13 ' N ' ' A' ' 78' ' ' GLN . 2.0 tp -63.66 -40.78 97.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -44.8 95.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -46.66 86.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.469 HD21 ' CG1' ' A' ' 132' ' ' ILE . 28.5 mt -65.2 -22.26 66.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -76.62 -42.0 43.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 103.33 23.59 8.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.44 ' C ' ' CG2' ' A' ' 114' ' ' VAL . 0.2 OUTLIER -94.61 -3.75 49.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.787 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.49 ' CB ' ' SD ' ' A' ' 113' ' ' MET . . . -63.28 141.08 58.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.76 130.64 33.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.71 -17.53 59.12 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.49 ' SD ' ' CB ' ' A' ' 110' ' ' ALA . 0.1 OUTLIER -102.35 -32.09 10.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 110.985 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.44 ' CG2' ' C ' ' A' ' 109' ' ' LEU . 2.6 t -68.98 122.57 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 86.34 2.34 85.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.112 . . . . 0.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 1.3 m-20 -141.57 101.95 6.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.77 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -58.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 0.0 110.964 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -53.69 50.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.1 -34.28 78.68 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.546 1.154 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.452 ' CG ' HD12 ' A' ' 124' ' ' LEU . 31.1 tt0 -66.12 -44.47 84.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 110.349 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.32 -37.74 86.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.35 -23.8 62.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.088 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.471 HD11 ' CE ' ' A' ' 113' ' ' MET . 0.4 OUTLIER -80.65 -37.97 29.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.452 HD12 ' CG ' ' A' ' 120' ' ' GLN . 0.5 OUTLIER -85.68 116.12 23.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.99 157.92 0.27 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 109.03 2.85 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.502 1.79 . . . . 0.0 111.042 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 152.84 -44.53 0.61 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -33.05 70.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.4 mt -60.65 -44.08 96.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.4 t -59.85 -39.95 81.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.76 -42.39 79.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.469 ' CG1' HD21 ' A' ' 106' ' ' LEU . 50.2 mt -67.57 -39.31 82.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.477 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 26.1 m -63.41 -47.48 81.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.25 -47.94 69.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 46.3 p -56.88 -33.75 67.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.53 -41.32 72.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.488 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -62.96 -36.79 84.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -68.16 -40.3 82.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.263 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.498 ' HB1' ' CD1' ' A' ' 69' ' ' TRP . . . -67.18 -29.37 69.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.407 ' CE2' HG21 ' A' ' 60' ' ' ILE . 27.6 t80 -65.21 -50.26 66.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.74 -29.63 68.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -65.86 -39.93 91.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.473 HG23 ' CB ' ' A' ' 68' ' ' LEU . 25.2 t -74.97 -42.05 45.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.493 ' O ' ' CZ ' ' A' ' 32' ' ' ARG . . . -55.21 -36.18 65.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.47 -38.19 68.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.23 -175.69 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -176.86 71.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -117.98 120.1 32.93 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 78.28 2.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -103.33 151.96 22.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -101.89 157.94 18.53 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.576 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.2 Cg_endo -75.02 -47.11 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.441 1.759 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' TRP . . . . . 0.576 ' CE3' ' HG2' ' A' ' 152' ' ' PRO . 31.0 p90 -101.24 -20.63 15.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 108.026 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.84 -32.02 73.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.1 -21.42 46.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.556 HG23 ' CE1' ' A' ' 167' ' ' PHE . 7.0 mt -83.54 120.42 34.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.609 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 3.0 m -131.8 133.8 45.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . 0.582 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 22.2 tp60 -73.6 128.41 35.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.158 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -118.76 166.2 12.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -25.42 12.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.443 1.759 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.43 -27.77 59.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.42 135.13 45.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.41 ' HB2' ' CB ' ' A' ' 166' ' ' ASP . 65.3 m -57.82 151.38 17.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . 0.569 ' CE2' HG22 ' A' ' 219' ' ' ILE . 1.1 t80 -69.74 -43.1 72.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.451 HG21 ' CG2' ' A' ' 219' ' ' ILE . 1.0 OUTLIER -70.79 -46.55 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.41 ' CB ' ' HB2' ' A' ' 163' ' ' SER . 13.5 t70 -56.26 -48.08 77.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.609 ' CE1' ' C ' ' A' ' 157' ' ' THR . 59.7 t80 -66.47 -42.51 87.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -56.23 -37.38 69.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -63.65 -44.05 94.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -62.52 -37.42 86.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.52 HD13 ' CE2' ' A' ' 167' ' ' PHE . 0.5 OUTLIER -70.82 -49.93 41.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . 0.421 ' CG1' HG21 ' A' ' 189' ' ' ILE . 23.3 mt -57.77 -43.93 84.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -61.87 -36.2 80.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.48 -52.51 31.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . . . . . . . . . 40.0 t -57.15 -44.99 84.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.411 ' OE2' ' CG2' ' A' ' 172' ' ' ILE . 1.7 mt-10 -53.38 -39.45 64.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -103.77 35.19 5.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 5.0 p -118.97 166.41 12.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 0.809 . . . . 0.0 109.992 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -89.04 76.4 7.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.572 HD11 ' CH2' ' A' ' 153' ' ' TRP . 29.9 mt -123.82 155.32 66.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . 0.466 ' HD2' ' CB ' ' A' ' 184' ' ' ALA . 18.3 Cg_endo -75.04 167.1 27.75 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 64.0 6.07 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.468 1.773 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 4.2 t -179.73 -37.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.459 1.099 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.466 ' CB ' ' HD2' ' A' ' 181' ' ' PRO . . . -72.19 -11.74 60.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 21.0 mtm105 -84.49 67.55 9.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.512 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 175.45 -57.54 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' PRO . . . . . 0.512 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.4 Cg_endo -74.91 -26.61 10.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 44.8 t -68.42 -41.38 83.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . 0.421 HG21 ' CG1' ' A' ' 172' ' ' ILE . 24.4 mt -66.67 -48.87 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' ILE . . . . . 0.403 ' CD1' ' C ' ' A' ' 213' ' ' THR . 65.3 mt -68.26 -37.81 78.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 187' ' ' PRO . 6.7 t70 -62.11 -36.21 81.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' CYS . . . . . 0.412 ' HA ' ' HB2' ' A' ' 195' ' ' GLN . 14.6 m -60.41 -46.52 89.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -56.71 -50.59 71.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -78.32 2.67 17.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . 0.412 ' HB2' ' HA ' ' A' ' 192' ' ' CYS . 0.0 OUTLIER -81.08 -56.06 4.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.248 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 197' ' ' SER . 41.6 tttm -126.79 -84.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 196' ' ' LYS . 3.8 m 34.44 -150.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.996 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' GLN . . . . . 0.511 ' CD ' ' N ' ' A' ' 198' ' ' GLN . 0.0 OUTLIER -107.57 170.33 5.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -33.91 4.23 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.536 1.808 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -63.97 -50.1 69.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 18.5 mm -70.27 -44.18 77.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -56.14 -46.45 79.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -61.05 -31.24 70.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . 0.579 HD22 ' CE2' ' A' ' 221' ' ' TYR . 0.6 OUTLIER -68.49 -49.68 57.92 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.45 ' O ' ' CB ' ' A' ' 208' ' ' ALA . 0.5 OUTLIER -63.3 -48.16 88.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -60.46 -36.29 77.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -86.92 5.02 39.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.244 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 205' ' ' ILE . . . -70.36 161.54 75.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 154.96 42.92 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.83 24.3 4.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 15.1 t -107.44 -6.28 17.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.373 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 212' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.61 142.59 30.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 213' ' ' THR . . . . . 0.403 ' C ' ' CD1' ' A' ' 190' ' ' ILE . 1.1 p -158.03 47.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 72.3 p -121.7 158.39 54.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.382 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 55.17 3.86 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.483 1.78 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -160.78 -53.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.3 -35.49 63.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.8 -43.11 96.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 219' ' ' ILE . . . . . 0.569 HG22 ' CE2' ' A' ' 164' ' ' PHE . 5.0 mt -75.15 -44.42 43.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -55.88 -42.71 76.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.579 ' CE2' HD22 ' A' ' 204' ' ' LEU . 1.0 OUTLIER -67.66 -45.42 75.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 5.6 t -60.11 -44.61 95.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.436 HD13 ' CG2' ' A' ' 165' ' ' VAL . 85.0 mt -65.47 -37.94 88.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -65.18 -33.07 75.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.323 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . 0.481 ' CB ' HD21 ' A' ' 204' ' ' LEU . 0.7 OUTLIER -79.44 -43.81 22.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.285 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -51.64 -47.81 63.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 39.9 pttt 41.9 -150.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 24.7 mm -142.76 92.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 229' ' ' ALA . . . . . 0.468 ' CB ' ' HD3' ' A' ' 230' ' ' PRO . . . -68.9 -54.69 12.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 230' ' ' PRO . . . . . 0.468 ' HD3' ' CB ' ' A' ' 229' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.438 ' N ' ' HG2' ' A' ' 117' ' ' PRO . 15.7 t-105 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 70.0 p -132.28 143.09 47.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.401 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 12' ' ' THR . 18.3 Cg_endo -74.99 124.43 8.63 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.482 1.78 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.462 ' CD1' HD11 ' A' ' 19' ' ' ILE . 11.8 tp -116.79 152.98 33.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.463 ' HG2' ' CD1' ' A' ' 18' ' ' LEU . 3.7 tp10 -108.26 102.81 48.25 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.03 -32.67 5.15 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.458 1.767 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -65.28 -47.09 77.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.463 ' CD1' ' HG2' ' A' ' 15' ' ' GLU . 96.7 mt -69.14 -39.25 78.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.462 HD11 ' CD1' ' A' ' 14' ' ' LEU . 64.6 mt -70.54 -36.58 66.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 16' ' ' PRO . 5.4 m -64.08 -50.29 68.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.362 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 22' ' ' LEU . 5.1 ptp180 -61.64 -40.65 95.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.432 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 1.2 mt -66.43 -45.79 78.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.28 -32.27 73.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -47.63 83.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.506 ' CG2' ' OE2' ' A' ' 39' ' ' GLU . 1.2 m -61.24 -37.76 84.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.416 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.457 ' CG1' HD23 ' A' ' 31' ' ' LEU . 2.3 t -63.34 -41.29 92.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -67.29 -47.98 69.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.4 p -70.22 -30.77 67.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.372 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 25' ' ' THR . 16.0 mmtt -81.05 -13.96 58.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.08 128.65 0.36 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.457 HD23 ' CG1' ' A' ' 26' ' ' VAL . 0.9 OUTLIER -67.25 -20.06 65.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -89.2 2.4 54.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -105.27 153.55 39.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.947 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.424 ' O ' ' CB ' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -74.99 97.89 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 111.036 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.424 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 0.1 OUTLIER 168.43 -31.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.453 HG23 ' CG1' ' A' ' 26' ' ' VAL . 2.8 m -58.53 -47.79 83.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.424 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 32.0 mmt -64.36 -41.43 96.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.29 -50.5 65.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.506 ' OE2' ' CG2' ' A' ' 25' ' ' THR . 46.5 mt-10 -59.87 -47.46 85.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.473 ' CG1' ' SD ' ' A' ' 44' ' ' MET . 37.7 t -60.75 -49.04 86.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' SER . 7.6 mt-10 -63.37 -24.2 67.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.89 -55.86 25.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 1.2 pp -73.08 -44.64 60.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.511 ' CE ' ' CE ' ' A' ' 57' ' ' MET . 14.8 mtt -69.83 -9.93 56.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' GLU . 46.9 t -35.34 -35.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' MET . 6.7 p -101.38 158.9 30.9 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 149.87 37.54 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 0.0 111.025 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.474 HD11 ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -149.56 -177.04 5.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.401 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 9.0 mt -86.5 162.49 45.17 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.02 -26.25 11.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.804 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -67.93 -51.12 51.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.562 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -62.87 -32.22 73.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.474 ' CG2' HD11 ' A' ' 48' ' ' LEU . 9.5 t -54.49 -44.52 68.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.491 HG22 ' CE ' ' A' ' 70' ' ' MET . 18.9 p -65.64 -36.98 85.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.384 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -67.38 -43.54 81.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.435 ' CD1' HG21 ' A' ' 19' ' ' ILE . 14.4 tp -66.68 -54.39 23.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.551 ' HG2' ' CE2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -57.82 -39.92 78.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 61' ' ' LEU . 8.2 ttt85 -56.7 -36.86 70.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.3 t -74.63 -35.43 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mt -72.79 -43.64 60.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -121.94 130.36 53.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.575 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -50.01 -178.2 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.412 ' HA ' ' HB3' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.06 -18.75 18.34 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.511 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -71.1 -56.76 5.29 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.575 ' HD2' ' C ' ' A' ' 62' ' ' GLY . 18.2 Cg_endo -75.0 -24.05 13.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.455 1.766 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.412 ' HB3' ' HA ' ' A' ' 63' ' ' PRO . 2.9 t80 -55.55 -40.85 72.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.49 -36.83 85.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.473 ' CB ' HG21 ' A' ' 143' ' ' VAL . 7.4 mp -66.54 -42.51 87.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.551 ' CE2' ' HG2' ' A' ' 57' ' ' MET . 28.3 t90 -68.74 -34.51 75.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 107.986 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.491 ' CE ' HG22 ' A' ' 54' ' ' THR . 0.9 OUTLIER -65.98 -36.21 82.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -71.56 -47.48 54.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.86 -45.82 80.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.482 ' CZ3' ' HE2' ' A' ' 70' ' ' MET . 19.9 t90 -50.66 -42.02 56.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 108.017 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.403 ' O ' ' OE1' ' A' ' 78' ' ' GLN . . . -58.76 -44.09 96.06 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.2 t -67.91 -46.27 82.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.422 ' NE2' ' HA ' ' A' ' 76' ' ' GLN . 18.1 mm100 -54.43 -46.18 73.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.421 ' CD2' HD11 ' A' ' 106' ' ' LEU . 3.1 mt -56.79 -42.12 78.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.424 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.6 OUTLIER -67.79 -30.21 69.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 110.274 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.84 -35.19 78.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.402 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.5 t -69.32 -35.35 67.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.5 mp -75.49 -50.1 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.9 -47.43 85.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.77 -43.19 80.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.14 -49.01 78.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.175 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.43 -29.35 69.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -75.14 -41.58 58.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.252 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -129.35 115.66 18.52 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 54.94 3.77 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.553 1.817 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.44 14.35 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.442 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -83.84 134.37 44.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.599 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -22.08 15.22 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.53 -22.12 66.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 90' ' ' HIS . 14.5 p30 -100.34 154.1 18.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.447 ' O ' ' NH2' ' A' ' 125' ' ' ARG . . . 145.11 95.42 0.19 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -159.58 50.99 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 110.32 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 133.24 -155.49 21.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.6 -0.02 45.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -97.77 -57.92 1.01 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 69.53 70.06 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.736 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.73 118.74 17.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.438 ' HG1' ' N ' ' A' ' 102' ' ' ASN . 2.6 t -74.49 170.2 16.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 110.369 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.438 ' N ' ' HG1' ' A' ' 101' ' ' THR . 0.4 OUTLIER -153.88 146.67 24.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.367 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 78' ' ' GLN . 1.2 tp -56.0 -30.88 62.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -66.23 -44.93 82.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -59.48 -47.33 85.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.421 HD11 ' CD2' ' A' ' 77' ' ' LEU . 48.0 mt -71.66 -15.76 62.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.85 -57.04 6.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.458 ' HA2' ' CE ' ' A' ' 113' ' ' MET . . . 113.74 22.26 5.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -104.92 5.34 32.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 0.772 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.39 171.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.06 124.18 24.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.249 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 83.45 9.6 83.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.461 ' HE3' ' CD1' ' A' ' 124' ' ' LEU . 45.9 mtp -103.32 -22.7 13.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.63 134.54 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.77 3.18 66.41 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.13 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.77 99.4 2.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.438 ' HG2' ' N ' ' A' ' 11' ' ' TRP . 18.4 Cg_endo -75.0 -37.53 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -77.48 -32.23 54.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -76.38 -42.62 22.41 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.453 1.096 . . . . 0.0 111.037 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.438 ' HG3' ' N ' ' A' ' 121' ' ' ALA . 21.6 pt20 -61.24 -44.54 97.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.438 ' N ' ' HG3' ' A' ' 120' ' ' GLN . . . -61.52 -42.61 99.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.78 -19.04 61.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.403 ' CD2' ' HG ' ' A' ' 124' ' ' LEU . 0.2 OUTLIER -79.49 -30.99 42.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.351 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.461 ' CD1' ' HE3' ' A' ' 113' ' ' MET . 1.0 OUTLIER -88.53 103.56 16.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 94' ' ' GLY . 0.0 OUTLIER -39.19 159.09 0.11 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.327 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 108.5 2.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.544 1.813 . . . . 0.0 110.992 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 154.69 -41.59 0.61 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.25 -39.54 89.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.1 mt -59.13 -42.39 90.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.9 t -59.26 -39.87 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.71 -41.02 76.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.254 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 42.0 mt -69.01 -38.81 78.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.486 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 21.5 m -63.9 -48.68 75.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.34 -43.74 93.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 82.5 p -63.69 -34.1 77.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.984 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.7 -39.8 80.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.486 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -70.08 -34.02 72.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -71.84 -39.82 69.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.84 -33.06 74.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -65.45 -57.36 8.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.949 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -24.7 50.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -68.13 -41.87 81.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.473 HG21 ' CB ' ' A' ' 68' ' ' LEU . 5.4 t -68.92 -40.59 81.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -64.5 -49.57 70.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -59.48 -36.72 76.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.4 tp -49.19 100.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -167.88 166.98 13.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.268 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.47 102.9 51.74 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 63.81 6.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.487 1.783 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -87.55 112.29 22.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 133.82 78.69 0.12 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.515 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.2 Cg_endo -75.04 -39.47 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.558 1.82 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' TRP . . . . . 0.595 ' CZ3' ' CD1' ' A' ' 180' ' ' LEU . 32.6 p90 -51.63 -26.5 9.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 107.968 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.86 76.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 152' ' ' PRO . 62.0 m-20 -87.31 -22.09 25.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.521 HG22 ' CE1' ' A' ' 167' ' ' PHE . 26.4 mt -85.56 120.87 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.517 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 18.6 p -128.9 145.39 51.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.397 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . 0.464 ' CG ' ' HB3' ' A' ' 197' ' ' SER . 1.9 tp-100 -76.97 104.6 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.42 ' O ' ' OE1' ' A' ' 158' ' ' GLN . . . -106.35 163.84 13.61 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -17.84 19.18 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.64 -24.5 58.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -120.33 135.47 55.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 27.4 m -57.56 156.52 8.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.954 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -65.02 -52.14 57.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.453 HG21 ' CD1' ' A' ' 223' ' ' LEU . 0.8 OUTLIER -62.85 -45.48 98.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.437 ' N ' ' CG1' ' A' ' 165' ' ' VAL . 1.1 m-20 -56.31 -47.84 77.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.521 ' CE1' HG22 ' A' ' 156' ' ' ILE . 9.5 t80 -67.17 -33.73 76.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 193' ' ' PHE . . . -64.71 -33.35 75.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -67.23 -49.69 63.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.404 ' HD2' ' N ' ' A' ' 170' ' ' ARG . 4.2 mpt_? -61.88 -37.74 85.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.419 HD12 ' CE2' ' A' ' 167' ' ' PHE . 3.5 tt -69.46 -49.36 55.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . 0.4 ' CG1' HG21 ' A' ' 189' ' ' ILE . 36.7 mt -57.81 -45.67 87.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -60.74 -35.58 76.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.83 -51.98 34.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . . . . . . . . . 46.8 t -57.15 -46.71 84.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -52.17 -40.71 61.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -100.22 27.77 18.81 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.559 1.162 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 26.2 p -111.73 166.08 11.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 110.014 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.7 84.52 5.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.595 ' CD1' ' CZ3' ' A' ' 153' ' ' TRP . 27.9 mt -129.18 156.94 77.48 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 162.02 37.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . 0.426 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.3 Cg_endo -74.97 78.69 2.83 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.486 1.782 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.5 OUTLIER 163.9 -30.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -81.12 -11.64 59.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -83.6 69.94 10.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.528 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 175.08 -57.76 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' PRO . . . . . 0.528 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -74.98 -28.39 9.25 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.518 1.799 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 24.1 t -67.47 -38.81 81.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . 0.4 HG21 ' CG1' ' A' ' 172' ' ' ILE . 53.9 mt -66.72 -48.32 80.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' ILE . . . . . 0.508 ' CD1' ' C ' ' A' ' 213' ' ' THR . 49.1 mt -69.26 -36.15 71.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -64.11 -37.53 87.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 63.5 m -60.51 -46.26 90.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 108.293 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' PHE . . . . . 0.497 ' CZ ' ' HB2' ' A' ' 168' ' ' ALA . 12.6 m-30 -53.81 -38.3 64.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -98.32 9.75 42.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -87.62 -45.05 10.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.91 71.04 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 197' ' ' SER . . . . . 0.464 ' HB3' ' CG ' ' A' ' 158' ' ' GLN . 1.6 m -138.41 167.16 22.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 198' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 197' ' ' SER . 2.1 mp0 -38.34 154.46 0.13 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -37.23 2.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.46 1.768 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -44.36 88.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 18.3 mm -72.94 -37.38 53.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -70.34 -43.84 69.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.33 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . 0.445 ' O ' ' NE2' ' A' ' 203' ' ' GLN . 33.0 tp60 -62.04 -32.01 72.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -48.98 63.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.41 ' O ' ' CB ' ' A' ' 208' ' ' ALA . 0.4 OUTLIER -64.16 -39.86 87.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -63.15 -33.84 76.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -89.23 2.43 54.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 208' ' ' ALA . . . . . 0.42 ' HA ' ' CE2' ' A' ' 221' ' ' TYR . . . -61.98 155.08 65.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 154.65 42.79 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.499 1.789 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.91 14.18 9.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.982 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 9.0 m -96.82 -11.64 24.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.473 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 212' ' ' LEU . . . . . 0.492 ' O ' ' CG2' ' A' ' 213' ' ' THR . 0.4 OUTLIER -142.05 142.31 32.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 213' ' ' THR . . . . . 0.508 ' C ' ' CD1' ' A' ' 190' ' ' ILE . 2.0 p -159.87 43.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.396 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 214' ' ' THR . . . . . 0.404 ' OG1' ' CD ' ' A' ' 217' ' ' GLU . 34.1 p -116.52 157.92 44.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 55.39 3.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.436 1.756 . . . . 0.0 111.014 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -159.67 -55.03 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.51 1.131 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . 0.404 ' CD ' ' OG1' ' A' ' 214' ' ' THR . 1.0 OUTLIER -74.27 -34.02 63.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 0.771 . . . . 0.0 110.307 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 218' ' ' ILE . . . . . 0.4 ' N ' HD13 ' A' ' 218' ' ' ILE . 1.3 mp -62.09 -42.46 95.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 219' ' ' ILE . . . . . 0.419 HG21 ' CG2' ' A' ' 165' ' ' VAL . 3.4 mt -73.5 -47.33 45.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -55.77 -39.67 71.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.42 ' CE2' ' HA ' ' A' ' 208' ' ' ALA . 0.9 OUTLIER -67.4 -46.14 74.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 111.011 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 6.1 t -60.59 -47.56 92.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.453 ' CD1' HG21 ' A' ' 165' ' ' VAL . 43.3 mt -65.39 -36.59 84.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.43 -37.46 87.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.48 -32.22 48.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -58.62 -50.37 74.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.253 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -128.76 72.09 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 5.3 tp -52.52 144.16 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . -168.49 87.57 0.67 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.197 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.472 ' CD1' ' HG3' ' A' ' 118' ' ' GLN . 5.1 m-90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -130.01 122.64 20.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 126.47 9.99 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.503 1.791 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.463 ' CD1' HD13 ' A' ' 19' ' ' ILE . 0.6 OUTLIER -64.76 147.11 53.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.435 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -96.14 110.24 51.17 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.401 ' O ' ' N ' ' A' ' 20' ' ' THR . 18.3 Cg_endo -74.93 -26.24 11.25 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -65.03 -50.92 64.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.463 ' O ' ' CG ' ' A' ' 21' ' ' ARG . 30.0 mt -60.36 -42.5 95.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.463 HD13 ' CD1' ' A' ' 14' ' ' LEU . 26.8 mt -69.33 -36.47 72.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 16' ' ' PRO . 1.7 m -61.97 -50.42 72.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.432 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 18' ' ' LEU . 2.9 ptp180 -62.3 -38.55 89.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.247 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.453 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 6.0 mt -67.03 -38.41 85.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.45 ' CB ' HG13 ' A' ' 59' ' ' VAL . . . -68.69 -32.96 73.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.2 -47.31 85.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.492 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.9 m -59.21 -37.95 78.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.425 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.468 ' CG1' HG23 ' A' ' 36' ' ' THR . 43.4 t -62.27 -45.73 98.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.471 ' HA ' ' CD2' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -66.48 -48.43 69.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.33 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.8 p -66.35 -31.04 71.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.397 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 25' ' ' THR . 18.9 mmtm -83.35 -14.39 52.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.72 128.32 6.13 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 27' ' ' ARG . 2.4 mm? -67.29 -30.16 69.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.99 2.2 54.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.65 161.2 48.67 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.0 110.003 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -33.55 4.55 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.449 HG22 ' CB ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -52.12 -25.37 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.538 ' CG2' ' CZ ' ' A' ' 140' ' ' PHE . 19.9 m -62.84 -49.17 75.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.531 ' HE1' ' CD1' ' A' ' 140' ' ' PHE . 0.0 OUTLIER -64.26 -38.45 91.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.34 -50.16 64.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -47.3 86.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 36' ' ' THR . 76.4 t -59.91 -43.98 93.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.47 ' CG ' HD22 ' A' ' 137' ' ' LEU . 20.0 mt-10 -68.73 -24.64 64.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.49 -54.98 36.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.568 ' CD1' ' CD2' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -72.21 -48.42 43.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.495 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 23.2 mtt -67.0 -10.6 51.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 41' ' ' GLU . 16.0 t -37.72 -31.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.996 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' MET . 3.5 p -109.78 161.54 23.82 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.02 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 149.19 36.46 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.476 HD13 ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -146.51 -172.35 3.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -86.35 163.97 40.07 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -35.79 2.89 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.53 1.805 . . . . 0.0 110.976 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.74 -45.71 74.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.606 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.45 -33.98 76.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.476 ' CG2' HD13 ' A' ' 48' ' ' LEU . 4.3 t -54.87 -47.06 75.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.467 HG21 ' CE ' ' A' ' 70' ' ' MET . 33.0 p -66.75 -33.19 75.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.399 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -66.33 -44.66 82.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.568 ' CD2' ' CD1' ' A' ' 43' ' ' LEU . 2.4 tp -67.58 -51.66 47.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.504 ' HG3' ' CE2' ' A' ' 69' ' ' TRP . 11.3 mmt -57.93 -33.53 68.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.572 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 4.6 ttt180 -63.55 -37.33 86.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.348 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.45 HG13 ' CB ' ' A' ' 23' ' ' ALA . 46.7 t -68.12 -44.64 84.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.6 mt -71.03 -43.23 76.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -118.02 121.83 41.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.478 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -53.54 -168.44 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.419 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.99 -19.28 18.02 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.534 1.807 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.558 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -71.69 -59.05 3.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.558 ' HD3' ' CB ' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.91 4.48 4.65 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.488 1.783 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 58' ' ' ARG . 0.8 OUTLIER -77.2 -50.05 13.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.967 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.98 -30.68 68.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.47 ' HB3' ' CG2' ' A' ' 143' ' ' VAL . 8.3 mp -71.86 -42.15 67.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.516 ' CZ3' ' CE3' ' A' ' 73' ' ' TRP . 62.5 t90 -70.89 -40.6 72.12 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.467 ' CE ' HG21 ' A' ' 54' ' ' THR . 6.5 mmt -62.95 -38.72 92.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -70.95 -42.09 70.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.56 -30.08 64.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.516 ' CE3' ' CZ3' ' A' ' 69' ' ' TRP . 17.0 t90 -72.05 -40.59 68.24 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.71 -45.61 93.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 25.0 t -68.16 -45.29 83.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -55.65 -45.55 77.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.473 ' CD2' HD13 ' A' ' 106' ' ' LEU . 3.4 mt -58.71 -50.38 74.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.424 ' N ' HD12 ' A' ' 103' ' ' LEU . 48.4 mt-30 -59.11 -29.98 67.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.4 ' O ' ' CB ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -63.47 -35.21 79.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.389 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.6 t -70.73 -38.26 72.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.447 ' CD1' HG22 ' A' ' 101' ' ' THR . 1.4 mp -70.0 -50.42 48.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.27 94.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 79' ' ' THR . . . -57.95 -45.58 86.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.88 -35.12 79.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.5 m -68.32 -34.63 76.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.382 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -74.67 -43.21 56.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 110.291 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.12 120.86 13.06 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.86 3.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -128.52 3.87 5.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.28 139.72 79.05 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.558 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -24.36 12.93 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.24 -6.54 55.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 100' ' ' ARG . 0.7 OUTLIER -106.45 150.84 25.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.84 -133.99 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -173.42 48.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 0.782 . . . . 0.0 110.303 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -105.55 -144.18 12.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.65 0.04 52.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 110.263 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 167.02 51.28 0.03 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -74.11 -73.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.412 ' N ' ' OD1' ' A' ' 93' ' ' ASN . 50.4 mtt180 60.72 147.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.466 ' C ' ' ND2' ' A' ' 102' ' ' ASN . 4.5 t -97.18 170.53 9.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.562 HD21 ' N ' ' A' ' 102' ' ' ASN . 0.5 OUTLIER -140.44 165.77 26.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 77' ' ' LEU . 2.1 tp -63.87 -30.09 71.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -63.29 -45.44 91.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.236 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.25 -45.08 92.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.473 HD13 ' CD2' ' A' ' 77' ' ' LEU . 10.0 mt -74.04 -15.8 61.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.74 -51.94 17.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 107.49 18.74 9.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.13 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.486 ' O ' ' CG2' ' A' ' 114' ' ' VAL . 12.0 tp -98.12 4.85 49.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.446 ' HB3' ' CE ' ' A' ' 113' ' ' MET . . . -58.85 141.68 52.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.3 130.56 10.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 91.33 -15.48 61.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.462 ' CG ' HD12 ' A' ' 123' ' ' LEU . 12.0 mtm -102.87 -17.64 15.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 109' ' ' LEU . 2.4 t -76.74 122.73 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 87.63 3.16 81.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -138.59 102.21 7.93 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -61.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.472 ' HG3' ' CD1' ' A' ' 11' ' ' TRP . 3.0 tm0? -54.41 -50.68 67.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.16 -37.77 92.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -44.41 95.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.47 -34.26 77.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.26 -22.61 57.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.462 HD12 ' CG ' ' A' ' 113' ' ' MET . 2.2 tt -79.07 -37.19 39.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.72 111.21 18.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.5 158.33 0.13 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 109.05 2.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 156.83 -40.11 0.56 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -32.94 74.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.753 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.9 mt -59.6 -43.56 93.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.0 t -62.98 -39.76 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.237 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.5 -38.83 72.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 17.3 mt -68.74 -38.75 79.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.48 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 1.3 m -66.07 -48.9 69.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.379 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.04 96.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.4 m -67.8 -35.12 78.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.994 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.17 95.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.495 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -67.03 -39.66 87.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -34.44 77.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.254 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.442 ' HB3' ' CD1' ' A' ' 69' ' ' TRP . . . -70.95 -32.15 68.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.538 ' CZ ' ' CG2' ' A' ' 36' ' ' THR . 2.7 t80 -61.52 -64.23 1.01 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -53.97 -27.55 31.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 110.35 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -67.55 -30.81 70.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 20.2 t -84.94 -42.33 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.25 -41.5 88.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -74.64 -40.13 61.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.285 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -45.06 158.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -176.67 -84.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.48 102.82 51.76 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.298 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 57.66 4.63 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -103.21 150.92 23.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.81 81.42 0.94 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.585 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.2 Cg_endo -75.09 -29.12 8.42 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.45 1.763 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' TRP . . . . . 0.585 ' CE3' ' HD2' ' A' ' 152' ' ' PRO . 40.4 p90 -56.09 -21.41 22.0 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.05 -32.74 74.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -85.68 -21.99 28.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.569 HG22 ' CE1' ' A' ' 167' ' ' PHE . 21.6 mt -76.27 120.59 26.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.598 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 43.9 m -127.63 135.3 50.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.429 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . 0.565 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 6.1 tm0? -75.87 129.87 37.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -107.01 157.91 15.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.79 18.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.1 -15.87 37.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.004 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -105.42 135.44 46.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.45 149.44 20.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . 0.574 ' CE2' HG22 ' A' ' 219' ' ' ILE . 0.3 OUTLIER -63.35 -52.37 62.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.478 ' CG2' HG23 ' A' ' 219' ' ' ILE . 1.8 p -63.56 -37.26 79.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -58.26 -47.96 81.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.598 ' CE1' ' C ' ' A' ' 157' ' ' THR . 90.5 t80 -67.31 -31.45 71.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 111.046 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 193' ' ' PHE . . . -63.44 -39.03 93.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -64.79 -46.67 81.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -59.78 -37.16 78.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.229 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.556 HD13 ' CE2' ' A' ' 167' ' ' PHE . 0.3 OUTLIER -72.06 -49.48 36.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.225 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . 0.415 ' CD1' ' O ' ' A' ' 168' ' ' ALA . 10.7 mt -57.83 -35.43 51.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -38.49 82.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.69 -51.69 39.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . 0.421 HG23 ' CG1' ' A' ' 189' ' ' ILE . 58.1 t -59.49 -48.14 88.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -51.94 -38.7 57.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.277 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -102.38 34.74 5.47 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 59.3 p -124.36 166.5 15.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.971 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.44 85.98 6.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.58 HD13 ' CZ3' ' A' ' 153' ' ' TRP . 21.1 mt -125.52 154.19 72.62 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 163.47 35.22 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 65.65 6.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 37.4 t 179.49 -38.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.43 ' C ' ' HD2' ' A' ' 187' ' ' PRO . . . -79.59 -10.44 59.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -84.39 68.11 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.506 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 172.67 -56.45 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' PRO . . . . . 0.506 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -75.03 -27.73 9.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 41.4 t -66.28 -35.96 76.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . 0.457 ' CG2' ' HB3' ' A' ' 215' ' ' PRO . 54.5 mt -68.71 -48.42 71.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' ILE . . . . . 0.511 ' CD1' ' C ' ' A' ' 213' ' ' THR . 45.2 mt -64.4 -36.23 76.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -62.56 -37.71 87.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 9.6 m -59.58 -47.34 85.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 108.278 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' PHE . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 168' ' ' ALA . 11.7 m-30 -53.74 -36.29 62.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' ARG . . . . . 0.416 ' O ' ' NE2' ' A' ' 202' ' ' GLN . 9.1 ptp180 -101.37 12.08 38.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -92.84 -36.15 13.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.94 73.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 197' ' ' SER . . . . . . . . . . . . . 3.3 m -139.4 169.38 17.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 198' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 202' ' ' GLN . 2.3 mp0 -39.59 159.21 0.12 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -39.03 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.782 . . . . 0.0 111.038 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -50.27 68.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 17.6 mm -68.16 -37.05 77.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' GLN . . . . . 0.485 ' CB ' ' O ' ' A' ' 198' ' ' GLN . 2.1 tp60 -68.92 -45.09 71.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -64.33 -38.63 91.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . 0.463 HD22 ' CD ' ' A' ' 225' ' ' ARG . 0.5 OUTLIER -61.81 -49.3 76.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 1.6 mt -64.83 -39.23 84.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.359 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -33.82 76.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -88.81 0.32 56.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 208' ' ' ALA . . . . . 0.407 ' HA ' ' CE2' ' A' ' 221' ' ' TYR . . . -61.42 156.41 52.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 153.3 41.79 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.781 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.3 18.91 4.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.021 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 5.4 m -99.94 -4.06 30.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 212' ' ' LEU . . . . . 0.487 ' O ' ' CG2' ' A' ' 213' ' ' THR . 0.2 OUTLIER -144.11 148.71 35.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 213' ' ' THR . . . . . 0.511 ' C ' ' CD1' ' A' ' 190' ' ' ILE . 1.3 p -160.75 45.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 214' ' ' THR . . . . . 0.559 ' CG2' ' HD2' ' A' ' 215' ' ' PRO . 1.4 m -122.46 149.86 56.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.356 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 215' ' ' PRO . . . . . 0.559 ' HD2' ' CG2' ' A' ' 214' ' ' THR . 18.3 Cg_endo -75.01 49.45 2.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.542 1.811 . . . . 0.0 110.982 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -146.86 -59.37 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -75.24 -34.29 61.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 0.793 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 218' ' ' ILE . . . . . 0.466 ' CD1' HD13 ' A' ' 212' ' ' LEU . 1.3 mp -57.62 -48.8 82.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 219' ' ' ILE . . . . . 0.574 HG22 ' CE2' ' A' ' 164' ' ' PHE . 4.7 mt -67.05 -41.9 87.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -58.82 -38.08 77.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.407 ' CE2' ' HA ' ' A' ' 208' ' ' ALA . 2.1 t80 -69.26 -48.62 61.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . 0.41 HG13 ' CE2' ' A' ' 164' ' ' PHE . 24.9 t -60.46 -43.97 95.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 32.5 mt -66.32 -39.57 89.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.93 -42.61 99.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . 0.463 ' CD ' HD22 ' A' ' 204' ' ' LEU . 0.9 OUTLIER -73.4 -28.9 62.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -62.66 -48.03 81.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -92.98 157.9 16.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 1.3 pp -125.03 157.26 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . -132.23 155.26 81.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.526 1.803 . . . . 0.0 111.007 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -103.59 132.94 20.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.399 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 143.83 29.59 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.464 ' CD1' HD13 ' A' ' 19' ' ' ILE . 1.8 tt -65.71 152.14 44.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -96.05 110.99 54.8 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.16 11.23 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.45 1.763 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -50.54 72.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.9 mt -63.56 -47.01 83.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.464 HD13 ' CD1' ' A' ' 14' ' ' LEU . 13.6 mt -59.76 -37.09 69.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.4 m -60.78 -38.13 84.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.348 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -49.02 75.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.512 ' CD2' ' OE1' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -66.53 -40.25 89.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.478 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -64.22 -32.43 74.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.3 -44.78 95.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.493 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -62.67 -37.47 86.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.471 ' CG1' HG21 ' A' ' 36' ' ' THR . 1.4 t -58.73 -49.17 83.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -48.82 80.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.5 p -68.55 -23.74 64.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 25' ' ' THR . 6.0 mmtm -90.96 -14.07 32.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 96.08 125.39 4.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.432 1.082 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.579 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -66.73 -29.5 69.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 0.738 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.72 2.49 53.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.58 166.15 26.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' MET . 18.3 Cg_endo -75.0 -46.71 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.437 HG21 ' CD ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -41.87 -28.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.501 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 21.5 m -67.02 -49.31 65.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.421 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -64.41 -37.56 87.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.36 -51.95 26.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.512 ' OE1' ' CD2' ' A' ' 22' ' ' LEU . 9.3 mm-40 -59.55 -46.75 87.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 36' ' ' THR . 55.4 t -58.26 -39.9 75.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.463 ' CG ' HD23 ' A' ' 137' ' ' LEU . 35.2 mt-10 -71.98 -24.36 61.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.86 -54.87 39.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.29 -50.93 34.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.481 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 6.6 mtt -65.67 -10.56 37.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' GLU . 22.8 t -35.22 -39.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.79 162.05 22.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.023 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 147.55 33.86 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.48 HD11 ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -145.65 -178.19 5.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.465 ' CD1' ' OE1' ' A' ' 120' ' ' GLN . 0.3 OUTLIER -85.17 162.79 47.98 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -27.29 10.07 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.4 ' O ' ' OG1' ' A' ' 54' ' ' THR . 26.9 m80 -67.42 -51.45 51.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.583 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.461 ' OD2' ' N ' ' A' ' 49' ' ' LEU . 3.3 p30 -63.69 -31.96 73.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.348 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.48 ' CG2' HD11 ' A' ' 48' ' ' LEU . 1.3 t -54.04 -47.05 66.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 51' ' ' HIS . 43.5 p -66.58 -40.84 89.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.376 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -60.3 -40.77 91.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.431 HD12 ' CG2' ' A' ' 19' ' ' ILE . 15.1 tp -71.85 -49.74 35.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.563 ' HG2' ' CD1' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -57.65 -30.06 65.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 111.032 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 61' ' ' LEU . 3.9 ttt180 -72.28 -36.45 68.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.361 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 t -69.81 -47.93 67.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.478 HG12 ' CB ' ' A' ' 23' ' ' ALA . 29.9 mt -75.77 -43.78 39.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 57' ' ' MET . 0.2 OUTLIER -101.76 122.67 44.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.472 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -43.37 166.32 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.429 ' O ' ' HB3' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.99 -20.86 16.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.449 1.763 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.543 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -72.88 -58.78 2.51 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.543 ' HD3' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.0 -0.85 10.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.568 ' CE1' ' HE1' ' A' ' 70' ' ' MET . 25.3 t80 -63.53 -40.02 95.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.39 -30.0 70.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.2 mp -66.3 -48.6 69.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.734 ' CH2' ' CE3' ' A' ' 73' ' ' TRP . 22.5 t90 -59.82 -35.47 74.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.568 ' HE1' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -63.07 -44.96 94.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -62.94 -45.34 92.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.59 -37.39 79.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.734 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 15.6 t90 -61.69 -47.52 84.94 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.451 ' O ' ' NE2' ' A' ' 78' ' ' GLN . . . -53.76 -47.36 65.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.8 t -65.68 -45.54 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.76 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 76' ' ' GLN . 1.5 mp0 -54.32 -43.72 71.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.401 ' O ' HG12 ' A' ' 81' ' ' ILE . 3.0 mt -60.1 -47.09 87.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 74' ' ' GLY . 4.3 mt-30 -60.25 -36.11 77.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.17 -35.43 71.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.399 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 t -70.56 -34.33 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.461 ' HA ' ' CG2' ' A' ' 101' ' ' THR . 19.8 mm -67.0 -49.7 71.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.23 85.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.2 -32.65 73.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.528 ' HA ' ' CD2' ' A' ' 90' ' ' HIS . . . -76.14 -50.16 15.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.58 -28.76 68.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -73.95 -43.26 58.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -120.29 116.82 32.14 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.87 3.76 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -152.37 26.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.332 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.528 ' CD2' ' HA ' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -89.7 140.78 28.08 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.612 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -75.01 -27.6 9.85 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.467 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -75.28 -12.18 60.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -109.27 141.75 41.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.362 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.71 -131.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.71 -56.91 4.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 118.69 -0.21 15.53 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.4 0.13 55.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.96 43.83 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -136.98 -73.23 0.43 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 0.756 . . . . 0.0 110.318 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 100' ' ' ARG . 4.1 ttp-105 61.24 148.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.461 ' CG2' ' HA ' ' A' ' 81' ' ' ILE . 10.1 t -71.07 151.92 44.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -133.1 143.0 49.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.6 tp -64.2 -29.58 70.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -38.92 91.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -44.43 96.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.6 mt -73.42 -30.89 63.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.87 -29.69 65.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 96.34 30.18 7.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.94 4.79 35.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.78 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.09 162.75 4.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.01 125.34 26.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.9 -6.09 83.79 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.566 1.166 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.456 ' CG ' HD13 ' A' ' 123' ' ' LEU . 7.5 mtt -103.02 -22.8 13.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -73.41 123.49 28.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 90.29 0.15 77.27 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 16.0 m120 -134.88 103.97 10.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -64.46 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -54.34 -46.44 72.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.01 -41.05 99.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.543 1.152 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.471 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 1.5 tm0? -61.96 -44.02 97.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.95 -37.54 86.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.67 -15.16 61.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.456 HD13 ' CG ' ' A' ' 113' ' ' MET . 0.3 OUTLIER -86.31 -32.13 21.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.1 115.78 27.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.55 158.01 0.17 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 108.76 2.79 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.519 1.799 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 151.76 -35.89 0.85 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.467 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 2.0 mt-10 -63.32 -41.38 98.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 0.761 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.86 -40.2 83.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.47 -40.0 82.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.32 -38.08 76.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 11.2 mt -68.91 -40.46 81.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 1.7 m -64.8 -47.0 79.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.409 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.59 -41.59 92.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.5 m -64.98 -34.31 78.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.83 -42.68 69.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.246 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.481 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -61.7 -38.36 87.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -71.18 -34.26 70.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.436 ' HB2' ' CD1' ' A' ' 69' ' ' TRP . . . -68.05 -33.55 74.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.579 ' CZ ' HD21 ' A' ' 31' ' ' LEU . 6.2 t80 -66.02 -60.72 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -52.81 -24.92 9.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.497 ' O ' ' CD2' ' A' ' 146' ' ' LEU . 1.6 tt0 -69.14 -41.71 76.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 23.8 t -74.03 -42.99 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -58.05 -36.7 73.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.51 -41.01 61.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 142' ' ' GLU . 0.6 OUTLIER -127.98 120.04 26.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -118.03 84.94 2.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -107.24 102.94 46.17 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -32.43 5.36 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -67.5 106.09 2.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.554 ' HA2' ' CZ3' ' A' ' 153' ' ' TRP . . . 165.46 70.24 0.03 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.557 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo -75.0 -30.55 7.05 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.524 1.802 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' TRP . . . . . 0.557 ' CE3' ' HD2' ' A' ' 152' ' ' PRO . 44.9 p90 -51.71 -25.7 7.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 108.0 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.42 -33.59 75.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -82.19 -19.46 39.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.563 HG23 ' CE1' ' A' ' 167' ' ' PHE . 9.1 mt -79.81 120.99 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.596 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 6.6 m -125.33 123.35 39.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.381 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . 0.646 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 9.5 tp60 -67.6 129.31 39.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -123.72 166.92 16.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -19.67 17.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.793 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 44.6 m -71.96 -34.87 69.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -101.7 135.39 43.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.45 166.21 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 110.06 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . 0.407 ' CE2' HG21 ' A' ' 219' ' ' ILE . 3.3 t80 -68.23 -50.04 56.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.471 HG21 ' CG2' ' A' ' 219' ' ' ILE . 25.4 t -68.18 -35.79 72.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -48.39 77.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.646 ' CZ ' ' N ' ' A' ' 158' ' ' GLN . 67.4 t80 -72.14 -30.89 65.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -65.28 -37.14 86.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -67.6 -46.53 72.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -63.01 -37.32 86.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.521 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.4 OUTLIER -71.23 -50.16 35.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . 0.455 ' CG1' HG22 ' A' ' 189' ' ' ILE . 47.8 mt -57.55 -40.08 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -36.03 82.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . 0.441 ' CB ' HD13 ' A' ' 156' ' ' ILE . . . -68.87 -47.84 64.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . . . . . . . . . 44.3 t -62.07 -46.2 97.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -59.79 -47.3 86.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -69.65 -27.84 72.88 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 55.4 p -70.4 166.11 21.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.958 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -100.07 70.77 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.537 HD11 ' CH2' ' A' ' 153' ' ' TRP . 12.6 mt -97.74 160.01 29.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 164.46 33.32 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.3 Cg_endo -75.06 77.13 3.22 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.4 OUTLIER 164.73 -30.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.029 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -83.07 -11.7 57.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -86.53 70.36 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.5 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 171.76 -56.47 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' PRO . . . . . 0.5 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.2 Cg_endo -74.96 -31.49 6.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.528 1.804 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 63.9 t -64.14 -36.97 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . 0.455 HG22 ' CG1' ' A' ' 172' ' ' ILE . 25.8 mt -67.95 -47.61 78.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' ILE . . . . . 0.501 HD11 ' CA ' ' A' ' 214' ' ' THR . 8.8 mt -69.07 -35.65 69.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.63 -40.63 83.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.06 -47.84 81.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 108.296 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -53.74 -40.04 65.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' ARG . . . . . 0.454 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 3.8 ptm180 -93.28 7.66 43.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -87.01 -41.63 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 196' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 197' ' ' SER . 7.6 tttp -145.52 -89.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 197' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 196' ' ' LYS . 1.8 m 38.77 -158.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -84.16 168.81 19.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -45.44 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.42 -50.25 74.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 26.8 mm -64.58 -41.19 91.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' GLN . . . . . 0.419 ' NE2' ' O ' ' A' ' 194' ' ' ARG . 26.2 tp60 -63.72 -45.06 91.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -65.84 -32.71 74.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.249 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . 0.473 HD22 ' CB ' ' A' ' 225' ' ' ARG . 0.4 OUTLIER -70.49 -49.31 49.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.454 ' CG2' ' HB3' ' A' ' 194' ' ' ARG . 1.4 mt -64.09 -45.87 95.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -33.97 73.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -90.84 5.02 50.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 208' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 205' ' ' ILE . . . -63.81 158.56 60.32 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 153.68 41.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.21 20.23 4.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 42.9 m -101.84 -9.46 20.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.442 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 212' ' ' LEU . . . . . 0.51 ' O ' ' CG2' ' A' ' 213' ' ' THR . 0.3 OUTLIER -142.4 143.35 32.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 213' ' ' THR . . . . . 0.51 ' CG2' ' O ' ' A' ' 212' ' ' LEU . 1.4 p -161.27 51.11 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 214' ' ' THR . . . . . 0.501 ' CA ' HD11 ' A' ' 190' ' ' ILE . 0.2 OUTLIER -126.87 158.52 68.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.428 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 61.38 5.65 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -165.07 -61.0 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -74.18 -30.11 62.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 218' ' ' ILE . . . . . 0.461 HD13 ' CD1' ' A' ' 212' ' ' LEU . 0.4 OUTLIER -63.59 -42.55 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 219' ' ' ILE . . . . . 0.471 ' CG2' HG21 ' A' ' 165' ' ' VAL . 4.0 mt -76.18 -46.05 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.25 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -55.62 -45.02 77.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -60.41 -48.52 81.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 3.8 t -60.28 -50.36 80.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.463 HD13 ' CG2' ' A' ' 165' ' ' VAL . 94.7 mt -59.18 -36.3 75.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -49.0 71.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . 0.473 ' CB ' HD22 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -60.82 -37.69 82.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -54.43 -55.26 30.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 14.4 mttm 62.59 149.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 16.8 tt -108.72 -11.98 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . -85.62 154.93 59.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 3.7 t90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.8 p -132.79 105.13 12.81 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 125.44 9.33 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.99 102.49 4.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.49 136.54 19.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -29.8 7.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.797 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.411 ' CG ' ' N ' ' A' ' 18' ' ' LEU . 1.9 pttt -58.81 -50.19 74.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.411 ' N ' ' CG ' ' A' ' 17' ' ' LYS . 42.6 mt -68.91 -44.84 72.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.47 HG21 ' CD1' ' A' ' 56' ' ' LEU . 25.0 mt -58.37 -37.56 64.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.9 m -65.71 -41.08 92.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -66.42 -45.32 80.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.8 mt -65.58 -45.96 81.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.407 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -60.1 -39.13 85.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.71 -44.54 96.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -59.44 -37.3 77.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.483 HG13 ' CG2' ' A' ' 36' ' ' THR . 73.8 t -58.86 -44.48 90.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -48.37 73.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.3 p -67.39 -28.13 67.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.399 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 25' ' ' THR . 9.4 mmtm -89.38 -14.45 35.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 96.07 125.62 4.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.79 -41.15 83.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.74 2.34 53.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 m -92.21 161.57 32.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.507 ' O ' ' CG1' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.0 103.66 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.456 1.766 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.507 ' CG1' ' O ' ' A' ' 34' ' ' PRO . 0.2 OUTLIER 163.37 -27.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.55 ' CG2' ' CZ ' ' A' ' 140' ' ' PHE . 89.5 m -58.16 -48.92 78.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 29.7 mmt -64.13 -33.68 76.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.77 -52.26 26.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.72 -43.84 98.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.503 ' CG1' ' SD ' ' A' ' 44' ' ' MET . 70.4 t -64.53 -46.59 92.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.479 ' HG3' ' CD2' ' A' ' 137' ' ' LEU . 32.1 mt-10 -63.34 -24.8 68.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.76 -55.42 15.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.55 ' CD1' ' CD2' ' A' ' 56' ' ' LEU . 0.6 OUTLIER -70.37 -46.54 63.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.503 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 25.1 mtt -70.51 -10.04 58.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 44' ' ' MET . 4.4 m -34.28 -36.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.005 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' MET . 1.1 m -105.76 164.97 13.91 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.89 35.79 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.512 1.796 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.474 ' CD1' ' CG2' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -146.79 -179.63 6.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.426 ' N ' HD22 ' A' ' 49' ' ' LEU . 3.1 mt -82.66 161.48 58.65 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.407 ' O ' ' HB ' ' A' ' 53' ' ' VAL . 18.3 Cg_endo -74.95 -33.07 4.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.469 1.773 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -68.4 -44.3 75.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.593 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -33.06 74.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.564 HG11 ' CH2' ' A' ' 69' ' ' TRP . 2.7 t -54.69 -46.74 73.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.9 p -65.83 -35.1 79.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -67.68 -44.23 78.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.55 ' CD2' ' CD1' ' A' ' 43' ' ' LEU . 9.2 tp -67.43 -47.0 71.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.494 ' HG3' ' CE2' ' A' ' 69' ' ' TRP . 12.0 mmt -59.63 -45.09 93.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 61' ' ' LEU . 4.2 ttt180 -55.33 -36.08 65.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.2 t -68.65 -34.34 64.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.407 HG12 ' CB ' ' A' ' 23' ' ' ALA . 52.5 mt -80.98 -44.45 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.423 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -116.97 130.59 56.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.485 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -51.26 -173.52 0.02 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -19.87 17.39 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.451 1.764 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.566 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -69.59 -59.42 4.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.566 ' HD3' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.02 3.05 5.97 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.501 ' CZ ' ' HE1' ' A' ' 70' ' ' MET . 24.0 t80 -74.18 -45.42 48.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.25 -31.15 71.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.6 mp -67.57 -43.13 81.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.576 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 54.1 t90 -67.64 -35.64 79.28 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.501 ' HE1' ' CZ ' ' A' ' 66' ' ' TYR . 1.7 tpp -66.35 -36.22 82.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.78 -41.6 71.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.46 -37.15 65.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.576 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 16.4 t90 -60.08 -40.48 89.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 108.001 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.34 -40.79 98.15 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.439 1.087 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.5 t -67.97 -47.14 80.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -60.66 -45.26 94.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.265 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.465 ' CD2' HD12 ' A' ' 106' ' ' LEU . 2.4 mt -55.87 -43.87 77.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -61.7 -35.08 76.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.59 -35.72 80.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.3 t -71.16 -35.21 57.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.3 mm -69.81 -50.22 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.4 -37.53 87.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.73 -49.03 78.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.65 91.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.3 m -62.26 -28.99 70.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.422 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -75.08 -42.77 56.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.27 115.74 21.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 54.82 3.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.791 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -143.48 15.87 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.46 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -81.21 136.91 49.41 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.577 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -74.97 -21.73 15.62 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.768 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.442 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -64.64 -21.99 66.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 90' ' ' HIS . 10.7 p30 -100.85 154.55 18.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 158.51 105.87 0.22 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -157.11 36.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.57 -122.79 6.49 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -76.73 0.07 21.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 99' ' ' GLU . . . -96.05 -50.56 1.9 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 98' ' ' GLY . 0.1 OUTLIER 35.97 40.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 0.731 . . . . 0.0 110.291 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.94 117.48 24.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 110.274 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.3 t -74.5 169.55 17.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -145.58 147.89 32.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.1 tp -63.57 -35.0 79.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.58 -45.45 86.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -56.8 -46.79 81.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.465 HD12 ' CD2' ' A' ' 77' ' ' LEU . 20.7 mt -69.88 -24.09 63.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -51.18 68.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.474 ' HA2' ' CE ' ' A' ' 113' ' ' MET . . . 105.51 24.26 7.17 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.093 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.453 ' CD1' HG13 ' A' ' 114' ' ' VAL . 24.4 tp -108.56 -3.42 18.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.467 ' HB1' ' CE ' ' A' ' 113' ' ' MET . . . -58.33 139.63 54.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.19 137.79 55.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.3 -18.03 58.11 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.474 ' CE ' ' HA2' ' A' ' 108' ' ' GLY . 8.3 mtp -100.99 -38.48 8.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 0.742 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.453 HG13 ' CD1' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -77.91 136.14 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 94.29 3.28 63.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -161.76 117.61 1.3 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.413 ' O ' ' CG ' ' A' ' 120' ' ' GLN . 18.4 Cg_endo -74.98 -42.48 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -75.56 -25.64 57.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -74.3 -40.27 41.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.494 ' O ' ' CD1' ' A' ' 124' ' ' LEU . 10.4 pt20 -65.93 -40.36 91.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 0.795 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.438 ' N ' ' HG3' ' A' ' 120' ' ' GLN . . . -66.45 -38.06 86.53 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.62 -19.79 54.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.403 ' CD2' ' SD ' ' A' ' 113' ' ' MET . 5.3 tt -83.72 -42.57 16.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 120' ' ' GLN . 0.4 OUTLIER -79.68 104.58 10.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.414 ' N ' ' HD2' ' A' ' 125' ' ' ARG . 0.2 OUTLIER -41.29 158.89 0.18 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 108.86 2.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.478 1.778 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 153.19 -48.91 0.52 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.442 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 17.6 mt-10 -60.48 -31.65 70.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 11.1 mt -57.8 -48.72 78.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 42.7 t -59.52 -39.35 79.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.25 -41.79 84.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 19.4 mt -68.95 -39.02 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.441 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 15.4 m -64.45 -45.02 89.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.412 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.5 98.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.1 t -69.02 -39.3 79.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.021 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -60.93 -41.95 97.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.499 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -63.09 -45.52 91.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.49 -30.76 71.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.537 ' HB1' ' CD1' ' A' ' 69' ' ' TRP . . . -67.74 -33.62 75.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.55 ' CZ ' ' CG2' ' A' ' 36' ' ' THR . 1.8 t80 -66.75 -46.4 75.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -61.43 -26.86 68.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -69.97 -41.96 73.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 41.7 t -76.14 -42.28 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -57.08 -42.29 80.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.85 -38.08 87.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.251 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.71 135.59 36.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -74.66 114.94 13.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -93.7 113.24 59.86 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 168.37 24.99 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.468 1.773 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -104.01 150.39 24.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -43.07 148.23 0.68 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 155' ' ' ASP . 18.2 Cg_endo -74.97 -47.05 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.425 1.75 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' TRP . . . . . 0.572 ' CZ3' HD12 ' A' ' 180' ' ' LEU . 1.4 p90 -51.4 -35.76 40.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 108.013 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.16 -32.87 73.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 152' ' ' PRO . 3.4 t0 -79.9 -22.06 43.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.484 HG23 ' CE1' ' A' ' 167' ' ' PHE . 49.0 mt -78.78 120.81 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.558 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 24.6 m -129.12 137.13 51.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.384 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . 0.648 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 0.1 OUTLIER -71.73 129.81 39.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -126.07 164.44 19.64 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -28.06 9.53 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 9.1 t -79.39 -11.82 59.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.038 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -114.3 135.05 54.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 167' ' ' PHE . 0.4 OUTLIER -58.13 139.2 55.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.973 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . 0.523 ' CE2' HG23 ' A' ' 219' ' ' ILE . 18.8 t80 -65.1 -52.16 57.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.472 HG23 ' CG2' ' A' ' 219' ' ' ILE . 0.3 OUTLIER -65.35 -45.52 93.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.435 ' N ' ' CG1' ' A' ' 165' ' ' VAL . 5.4 t70 -60.35 -44.45 95.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.648 ' CZ ' ' N ' ' A' ' 158' ' ' GLN . 47.5 t80 -64.96 -41.77 95.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -56.89 -37.87 72.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -63.34 -43.54 97.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -63.22 -37.55 87.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.54 HD12 ' CZ ' ' A' ' 167' ' ' PHE . 0.5 OUTLIER -70.82 -45.14 65.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . 0.436 ' CG1' HG23 ' A' ' 189' ' ' ILE . 13.6 mt -61.68 -41.98 92.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.45 -35.95 82.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . 0.472 ' CB ' HD13 ' A' ' 156' ' ' ILE . . . -68.49 -51.78 39.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . . . . . . . . . 47.3 t -58.84 -47.62 88.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -53.06 -39.79 63.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -98.63 30.13 10.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 31.7 p -119.13 165.88 13.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 110.017 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -88.44 79.64 7.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.572 HD12 ' CZ3' ' A' ' 153' ' ' TRP . 18.2 mt -121.92 152.64 59.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 164.56 33.17 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.4 Cg_endo -74.96 79.42 2.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.4 OUTLIER 161.19 -27.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.018 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -81.71 -11.77 58.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -85.02 70.35 10.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.515 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 175.1 -57.05 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' PRO . . . . . 0.515 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.2 Cg_endo -75.0 -28.16 9.4 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.477 1.777 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 74.3 t -67.45 -45.03 86.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . 0.544 HG21 ' CZ ' ' A' ' 193' ' ' PHE . 51.9 mt -63.16 -47.84 90.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' ILE . . . . . 0.509 ' HA ' ' CD2' ' A' ' 193' ' ' PHE . 26.2 mt -66.84 -36.62 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . 0.4 ' C ' ' OD1' ' A' ' 191' ' ' ASP . 16.0 t0 -62.67 -41.1 98.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 3.7 m -56.4 -47.23 79.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 108.294 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' PHE . . . . . 0.544 ' CZ ' HG21 ' A' ' 189' ' ' ILE . 10.7 m-30 -53.53 -36.62 61.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -102.81 16.58 26.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 12.7 tm0? -97.96 -34.46 10.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 196' ' ' LYS . . . . . 0.495 ' HG2' ' CG2' ' A' ' 157' ' ' THR . 1.8 ttpm? -168.54 73.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 197' ' ' SER . . . . . 0.419 ' HB2' ' NE2' ' A' ' 158' ' ' GLN . 7.2 p -138.88 165.66 26.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -43.87 167.6 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -41.08 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.423 1.749 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -63.86 -43.06 97.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 24.4 mm -67.99 -45.2 84.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' GLN . . . . . 0.42 ' O ' ' NE2' ' A' ' 202' ' ' GLN . 28.2 tp60 -64.38 -48.38 75.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -59.99 -27.92 67.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . 0.575 HD23 ' CE2' ' A' ' 221' ' ' TYR . 0.3 OUTLIER -70.19 -49.05 54.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.4 -44.67 97.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 206' ' ' ARG . . . . . 0.415 ' HG3' ' NE2' ' A' ' 202' ' ' GLN . 10.6 mtt-85 -64.05 -33.69 76.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -92.65 4.96 52.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 208' ' ' ALA . . . . . . . . . . . . . . . -69.95 159.2 85.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 154.81 42.79 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.5 18.33 8.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 1.5 m -98.56 -14.95 19.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.381 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 212' ' ' LEU . . . . . 0.479 ' O ' ' CG2' ' A' ' 213' ' ' THR . 0.3 OUTLIER -135.86 141.36 44.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 213' ' ' THR . . . . . 0.479 ' CG2' ' O ' ' A' ' 212' ' ' LEU . 3.8 p -158.42 45.06 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.387 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 214' ' ' THR . . . . . 0.426 ' N ' HD13 ' A' ' 190' ' ' ILE . 22.3 p -121.06 158.59 52.26 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.442 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 55.37 3.94 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -161.72 -51.95 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -74.67 -33.96 62.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 218' ' ' ILE . . . . . 0.451 ' CD1' HD11 ' A' ' 212' ' ' LEU . 5.2 mm -64.29 -47.91 87.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 219' ' ' ILE . . . . . 0.523 HG23 ' CE2' ' A' ' 164' ' ' PHE . 4.4 mt -67.89 -46.1 82.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -39.39 79.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.575 ' CE2' HD23 ' A' ' 204' ' ' LEU . 2.8 t80 -68.33 -46.84 69.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 9.3 t -60.78 -46.61 95.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.462 HD13 ' CG2' ' A' ' 165' ' ' VAL . 16.0 mt -59.49 -36.33 75.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.21 -45.94 68.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . 0.412 ' CB ' HD22 ' A' ' 204' ' ' LEU . 1.7 tpm_? -61.29 -43.92 98.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -51.82 -55.29 20.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.13 161.85 29.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 7.9 mt -121.03 128.86 76.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . -150.96 86.21 4.95 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 111.021 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.411 ' CE2' ' HG2' ' A' ' 117' ' ' PRO . 1.6 m-90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.9 p -103.63 105.56 48.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.1 33.44 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.477 1.778 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.516 ' CD1' ' CD1' ' A' ' 19' ' ' ILE . 1.2 pt? -60.42 156.77 15.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -81.13 114.17 46.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.312 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -24.13 13.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.524 1.802 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.83 -50.52 68.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.62 -45.38 90.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.516 ' CD1' ' CD1' ' A' ' 14' ' ' LEU . 71.5 mt -59.81 -37.32 71.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.6 m -57.89 -38.09 75.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.413 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -48.71 75.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.469 HD23 ' CG ' ' A' ' 39' ' ' GLU . 2.8 tt -66.9 -37.54 84.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.438 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -66.49 -34.23 77.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -61.87 -38.27 87.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.479 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.5 m -65.98 -37.11 85.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.47 HG12 ' CG2' ' A' ' 36' ' ' THR . 3.4 t -60.49 -49.32 84.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -60.7 -48.82 80.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.5 p -65.11 -30.17 71.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.487 ' CB ' ' CG2' ' A' ' 35' ' ' ILE . 11.1 mmtt -83.22 -14.11 53.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.96 123.68 5.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.476 HD13 ' CE1' ' A' ' 140' ' ' PHE . 0.7 OUTLIER -67.15 -26.66 66.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.749 . . . . 0.0 109.261 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -93.38 2.19 56.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.4 m -85.87 157.47 57.42 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 110.027 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.41 20.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.487 ' CG2' ' CB ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -63.56 -24.06 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.521 HG21 ' CE2' ' A' ' 140' ' ' PHE . 87.7 m -61.98 -49.88 74.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.394 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 37.1 mmt -64.89 -35.09 80.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.92 -52.59 34.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.469 ' CG ' HD23 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -60.77 -47.85 84.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.412 ' CG1' ' SD ' ' A' ' 44' ' ' MET . 70.6 t -60.52 -49.33 84.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 45' ' ' SER . 28.6 mt-10 -58.7 -24.12 60.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.43 -54.74 24.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.411 ' CD2' ' HA ' ' A' ' 40' ' ' VAL . 0.8 OUTLIER -72.74 -40.77 65.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.526 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 25.7 mtt -76.09 -9.71 58.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' GLU . 3.5 m -34.62 -35.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 44' ' ' MET . 45.9 m -100.87 156.24 35.39 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.975 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 149.51 36.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.423 1.749 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.484 HD13 ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -145.27 -175.0 4.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.17 165.29 29.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -27.7 9.81 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.439 1.757 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.461 ' O ' ' OG1' ' A' ' 54' ' ' THR . 7.5 t-160 -67.27 -51.34 54.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.636 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 1.4 t70 -64.77 -31.65 72.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.484 ' CG2' HD13 ' A' ' 48' ' ' LEU . 3.0 t -54.61 -47.09 72.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 51' ' ' HIS . 72.6 p -67.94 -37.58 81.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.469 ' CG ' ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -63.7 -45.41 90.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.469 ' N ' ' CG ' ' A' ' 55' ' ' ASN . 2.7 tp -69.68 -51.4 34.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.567 ' HG3' ' CZ2' ' A' ' 69' ' ' TRP . 15.2 mmt -57.66 -29.52 64.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 4.3 ttt180 -69.67 -34.19 73.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 t -74.07 -48.07 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.438 HG12 ' CB ' ' A' ' 23' ' ' ALA . 5.6 mt -74.39 -45.49 46.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.59 ' CD2' ' CE1' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -90.21 131.86 35.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.468 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -57.21 173.83 2.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.504 ' O ' ' CB ' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -75.04 -47.46 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.513 ' N ' ' CD ' ' A' ' 65' ' ' PRO . . . -60.92 -51.88 76.25 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.03 2.66 6.4 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 58' ' ' ARG . 4.0 t80 -68.62 -48.63 63.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.94 -33.64 70.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.1 mt -62.23 -46.41 88.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.716 ' CZ3' ' CE3' ' A' ' 73' ' ' TRP . 65.8 t90 -58.56 -42.08 87.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 108.003 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 11.3 mmt -63.85 -33.85 76.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -71.04 -44.89 64.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.444 ' CB ' ' OE2' ' A' ' 142' ' ' GLU . . . -73.28 -30.73 63.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.716 ' CE3' ' CZ3' ' A' ' 69' ' ' TRP . 15.4 t90 -69.17 -49.35 57.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 107.967 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.77 -48.94 60.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 25.1 t -68.1 -43.48 85.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -55.13 -46.31 75.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.436 ' CD2' ' CD1' ' A' ' 106' ' ' LEU . 2.2 mt -56.86 -50.16 73.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -59.64 -33.62 71.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.484 ' O ' ' CB ' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -61.97 -35.73 79.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.456 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.0 t -71.91 -34.96 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.441 ' CG1' HD11 ' A' ' 103' ' ' LEU . 15.4 mm -71.18 -50.3 42.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.55 88.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 79' ' ' THR . . . -62.6 -27.26 69.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.08 -50.52 14.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 t -63.81 -32.08 73.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.369 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.8 ttt85 -74.68 -41.52 60.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.71 117.7 12.12 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 55.07 3.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.46 1.768 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -135.09 14.08 3.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.503 ' CB ' ' OD1' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -82.46 136.86 45.36 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.573 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.444 ' O ' ' NH1' ' A' ' 125' ' ' ARG . 18.2 Cg_endo -75.01 -21.8 15.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.769 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.92 -15.86 61.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.503 ' OD1' ' CB ' ' A' ' 90' ' ' HIS . 2.8 p-10 -121.08 154.39 36.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 137.69 113.03 1.15 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.127 . . . . 0.0 111.054 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -179.58 36.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 0.791 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 155.51 -153.95 25.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -89.63 0.02 57.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 175.45 47.38 0.06 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.543 1.152 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -56.56 -56.92 15.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 0.763 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 65.7 123.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.1 t -72.74 170.12 15.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -136.28 145.48 45.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.441 HD11 ' CG1' ' A' ' 81' ' ' ILE . 13.7 tp -58.45 -45.85 87.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.533 ' HA ' ' CG ' ' A' ' 107' ' ' LYS . 13.9 t0 -53.8 -37.65 63.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -35.39 60.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.436 ' CD1' ' CD2' ' A' ' 77' ' ' LEU . 62.6 mt -86.42 -23.91 25.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.533 ' CG ' ' HA ' ' A' ' 104' ' ' ASP . 61.7 mmtt -55.92 -48.82 75.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 100.69 13.33 35.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.421 ' O ' ' CG2' ' A' ' 114' ' ' VAL . 0.2 OUTLIER -97.98 0.78 47.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.306 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.46 ' HB2' ' CE ' ' A' ' 113' ' ' MET . . . -58.97 147.7 33.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -58.2 130.77 48.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 91.09 -15.16 61.65 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.46 ' CE ' ' HB2' ' A' ' 110' ' ' ALA . 35.9 mtp -102.89 -20.89 14.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 0.79 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.421 ' CG2' ' O ' ' A' ' 109' ' ' LEU . 2.3 t -77.29 126.29 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 82.31 3.22 90.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -138.05 101.19 8.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.76 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.411 ' HG2' ' CE2' ' A' ' 11' ' ' TRP . 18.2 Cg_endo -75.04 -65.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -43.55 70.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.36 -38.33 96.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -63.9 -44.51 92.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.759 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.38 -32.07 73.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.96 -24.76 55.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.428 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 2.8 tt -79.65 -42.22 25.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.407 ' O ' ' O ' ' A' ' 125' ' ' ARG . 1.2 mt -75.69 112.57 12.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.444 ' NH1' ' O ' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -38.43 157.67 0.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 108.82 2.8 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 147.18 -33.13 1.36 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.61 -39.63 91.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -39.08 84.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 41.8 t -60.15 -39.75 81.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.8 -39.08 83.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 4.2 mt -67.36 -39.03 81.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.436 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 25.1 m -67.79 -46.65 71.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.424 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.19 -48.25 80.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 9.4 p -64.04 -35.1 79.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.02 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.06 -42.85 99.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.526 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.3 OUTLIER -69.71 -42.18 74.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.83 -35.75 77.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.418 ' HB1' ' N ' ' A' ' 73' ' ' TRP . . . -72.99 -32.51 65.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.59 ' CE1' ' CD2' ' A' ' 61' ' ' LEU . 1.2 t80 -69.1 -63.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.962 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -25.07 33.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.444 ' OE2' ' CB ' ' A' ' 72' ' ' ALA . 32.0 tt0 -69.49 -42.24 75.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 37.8 t -73.19 -20.55 18.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -72.96 -41.59 64.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -75.74 -44.95 39.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.491 ' O ' ' CB ' ' A' ' 147' ' ' ALA . 21.6 tp 57.16 163.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 146' ' ' LEU . . . 163.83 116.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -117.89 110.37 40.18 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 126.82 10.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -104.0 152.01 22.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 155.51 77.01 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.105 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.569 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo -75.02 -47.16 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.802 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' TRP . . . . . 0.569 ' CE3' ' HG2' ' A' ' 152' ' ' PRO . 30.7 p90 -101.03 -18.73 16.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 108.004 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.74 -32.68 73.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -79.65 -20.17 47.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.557 HG21 ' CZ ' ' A' ' 167' ' ' PHE . 10.7 mt -83.58 120.83 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.597 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 35.9 p -130.65 130.63 44.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . 0.575 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 34.4 tp60 -71.51 129.84 39.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -116.2 159.64 13.78 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.516 1.135 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -21.13 16.16 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.782 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 53.3 m -83.88 -21.31 32.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -102.35 135.76 43.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.14 132.8 54.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.994 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . 0.559 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.9 OUTLIER -56.03 -51.73 66.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.461 ' CG2' HG22 ' A' ' 219' ' ' ILE . 0.6 OUTLIER -63.02 -44.22 99.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.417 ' N ' ' CG1' ' A' ' 165' ' ' VAL . 21.5 t0 -56.68 -47.94 78.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.597 ' CE1' ' C ' ' A' ' 157' ' ' THR . 61.2 t80 -67.33 -41.5 85.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 193' ' ' PHE . . . -55.5 -41.84 73.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -61.04 -46.53 90.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 7.0 mmm-85 -58.73 -37.57 76.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.565 HD11 ' CE2' ' A' ' 167' ' ' PHE . 0.7 OUTLIER -71.11 -45.69 63.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . 0.497 ' CG2' ' OE2' ' A' ' 176' ' ' GLU . 46.8 mt -60.01 -37.06 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.89 -39.11 83.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -67.58 -48.2 67.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . 0.435 HG21 ' CG1' ' A' ' 189' ' ' ILE . 53.9 t -61.72 -47.65 92.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.497 ' OE2' ' CG2' ' A' ' 172' ' ' ILE . 3.9 mt-10 -56.24 -33.92 65.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -99.2 29.92 10.89 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 175' ' ' VAL . 82.7 p -125.53 166.11 17.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 0.763 . . . . 0.0 110.018 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -94.41 89.38 5.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.527 HD12 ' CH2' ' A' ' 153' ' ' TRP . 12.3 mt -123.92 156.94 64.88 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . 0.424 ' CD ' HD22 ' A' ' 180' ' ' LEU . 18.3 Cg_endo -75.01 165.54 31.09 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.523 1.801 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . 0.434 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.2 Cg_endo -75.01 77.04 3.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 1.0 OUTLIER 164.38 -31.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -79.7 -11.85 59.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -87.47 67.7 9.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.492 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 172.18 -56.29 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' PRO . . . . . 0.492 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.2 Cg_endo -75.02 -26.91 10.43 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 55.7 t -68.1 -41.94 84.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . 0.463 ' CG2' ' CZ ' ' A' ' 193' ' ' PHE . 19.3 mt -68.53 -47.67 75.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' ILE . . . . . 0.424 ' CD1' ' C ' ' A' ' 213' ' ' THR . 81.7 mt -66.61 -37.68 80.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 187' ' ' PRO . 8.3 t70 -67.79 -40.45 83.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.366 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.41 -42.59 78.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 108.262 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 168' ' ' ALA . 10.8 m-30 -58.46 -50.43 73.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -86.26 13.6 7.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . 0.409 ' O ' ' NE2' ' A' ' 195' ' ' GLN . 1.1 tm0? -119.81 -4.73 10.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 196' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 197' ' ' SER . 0.0 OUTLIER -146.56 -59.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 197' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 193' ' ' PHE . 1.3 p -37.05 153.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.951 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -45.19 170.14 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 110.318 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -33.87 4.32 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.553 1.817 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.68 -50.54 72.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 9.1 mm -69.1 -36.03 71.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -66.67 -38.9 87.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -61.76 -37.79 85.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . 0.468 HD23 ' CB ' ' A' ' 225' ' ' ARG . 0.3 OUTLIER -63.73 -43.75 95.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.445 ' O ' ' CB ' ' A' ' 208' ' ' ALA . 0.6 OUTLIER -67.72 -44.91 85.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -61.57 -33.97 74.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.327 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -89.83 4.24 50.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 208' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 205' ' ' ILE . . . -61.3 159.74 28.37 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 155.15 43.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 111.033 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.05 18.14 5.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 1.7 m -104.35 -10.11 18.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 212' ' ' LEU . . . . . 0.499 ' O ' ' CG2' ' A' ' 213' ' ' THR . 0.5 OUTLIER -140.45 140.25 35.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 213' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 212' ' ' LEU . 2.0 p -160.13 45.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 18.0 p -123.03 157.99 58.89 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 55.23 3.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -157.53 -58.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -73.88 -30.33 62.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.273 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 218' ' ' ILE . . . . . 0.421 ' N ' HD11 ' A' ' 218' ' ' ILE . 1.3 mp -63.96 -44.72 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 219' ' ' ILE . . . . . 0.559 HG23 ' CE2' ' A' ' 164' ' ' PHE . 3.3 mt -70.93 -50.16 44.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -56.37 -31.3 63.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.435 ' CZ ' HD22 ' A' ' 204' ' ' LEU . 1.0 OUTLIER -71.92 -49.1 40.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 23.7 t -61.02 -50.98 78.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 68.9 mt -59.29 -39.08 81.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -65.64 -37.28 86.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . 0.468 ' CB ' HD23 ' A' ' 204' ' ' LEU . 4.0 tpt180 -70.75 -41.22 72.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -52.51 -48.73 65.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 50.42 -179.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 228' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 229' ' ' ALA . 23.3 pt -89.73 -40.37 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 229' ' ' ALA . . . . . 0.411 ' N ' HG13 ' A' ' 228' ' ' ILE . . . 69.35 156.11 0.15 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.36 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.2 0 O-C-N 124.457 1.767 . . . . 0.0 110.987 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 19.0 t90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.23 142.09 44.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.402 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 132.57 15.68 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.798 . . . . 0.0 111.034 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.445 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -62.61 100.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.467 ' O ' ' CG1' ' A' ' 19' ' ' ILE . 0.4 OUTLIER -132.46 139.05 33.56 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -39.46 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.479 1.778 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.4 ' HE3' ' CG ' ' A' ' 15' ' ' GLU . 2.8 pttt -68.15 -43.66 77.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.95 -43.66 74.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.467 ' CG1' ' O ' ' A' ' 15' ' ' GLU . 31.1 mt -58.82 -37.08 64.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.42 ' HA ' ' CG1' ' A' ' 59' ' ' VAL . 27.0 m -64.9 -39.86 94.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.409 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -48.42 68.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.467 HD23 ' CD2' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -64.26 -40.67 96.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.79 83.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.54 -43.1 99.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.447 ' CG2' ' HG3' ' A' ' 29' ' ' LYS . 1.3 m -58.74 -36.61 74.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 110.419 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.458 ' CG1' HG22 ' A' ' 36' ' ' THR . 3.6 t -61.88 -42.2 93.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -67.22 -48.91 66.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.9 p -68.28 -33.99 75.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 33' ' ' SER . 13.3 mmtt -81.1 -14.41 57.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.45 127.18 2.75 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.577 HD23 ' CZ ' ' A' ' 140' ' ' PHE . 0.1 OUTLIER -67.83 -33.16 74.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.01 2.63 56.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -95.48 156.13 37.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 0.0 109.983 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.04 99.65 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.522 1.801 . . . . 0.0 111.037 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.493 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 0.2 OUTLIER 164.3 -31.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.458 HG22 ' CG1' ' A' ' 26' ' ' VAL . 18.2 m -62.69 -48.94 77.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.393 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -44.32 93.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.12 -40.6 90.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.466 ' CD ' ' CD2' ' A' ' 22' ' ' LEU . 1.5 mt-10 -64.37 -48.39 75.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 44' ' ' MET . 97.5 t -62.86 -41.38 92.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 45' ' ' SER . 0.7 OUTLIER -69.93 -24.73 63.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.66 -54.95 35.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.547 ' CD1' ' CD2' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -71.06 -37.98 72.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.485 ' HB3' ' CG2' ' A' ' 133' ' ' THR . 9.7 mtt -74.2 -10.96 60.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' GLU . 35.3 t -36.33 -33.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.949 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -109.04 166.6 10.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.23 37.79 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.464 1.771 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.42 ' CD1' ' OG1' ' A' ' 133' ' ' THR . 0.3 OUTLIER -153.95 163.16 40.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.48 ' CD1' ' CB ' ' A' ' 117' ' ' PRO . 2.3 mt -67.65 163.72 45.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.98 -30.15 7.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.52 -41.89 83.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.563 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 0.5 OUTLIER -63.96 -32.01 73.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.473 ' CG1' ' CZ2' ' A' ' 69' ' ' TRP . 61.5 t -60.23 -44.13 94.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.407 1.067 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.6 p -66.78 -45.73 77.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.388 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.459 ' CG ' ' N ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -63.65 -42.56 98.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.547 ' CD2' ' CD1' ' A' ' 43' ' ' LEU . 8.3 tp -65.84 -52.22 52.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.528 ' HG3' ' CE2' ' A' ' 69' ' ' TRP . 10.8 mmt -57.69 -41.32 81.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.485 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 5.8 ttt85 -55.87 -35.47 66.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.42 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 48.4 t -74.02 -34.19 38.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.428 HG22 ' CZ ' ' A' ' 140' ' ' PHE . 64.2 mt -77.59 -44.14 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.564 HD23 ' CE1' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -121.11 137.56 54.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.512 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -62.6 -166.44 0.6 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.443 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.92 -25.74 11.75 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.541 1.811 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.52 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -68.76 -57.41 8.1 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.52 ' HD3' ' CB ' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.97 2.38 6.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.485 ' CE1' ' HB2' ' A' ' 58' ' ' ARG . 0.8 OUTLIER -73.55 -51.7 16.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.94 -28.95 69.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 mp -67.07 -48.54 67.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.656 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 25.2 t90 -71.18 -41.27 70.55 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -46.37 89.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -62.58 -46.95 85.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.52 -35.28 79.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.656 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 11.2 t90 -56.6 -42.84 79.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 107.965 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.405 ' O ' ' NE2' ' A' ' 78' ' ' GLN . . . -61.85 -40.11 98.4 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.128 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.0 t -68.28 -47.86 76.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.756 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.41 ' NE2' ' HA ' ' A' ' 76' ' ' GLN . 18.5 mm100 -59.87 -45.58 92.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 mt -60.94 -45.02 96.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.412 ' N ' HD12 ' A' ' 103' ' ' LEU . 38.9 mt-30 -59.95 -36.61 77.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.72 -40.61 84.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.398 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 t -66.47 -37.41 79.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.444 ' CG1' HD11 ' A' ' 103' ' ' LEU . 10.9 mm -69.44 -38.99 78.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.0 -36.99 75.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.575 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . . . -64.28 -49.38 72.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.13 -47.33 77.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.2 m -58.5 -39.3 79.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -75.21 -42.83 54.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.19 114.78 20.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.91 3.78 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.478 1.778 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.59 4.82 5.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -82.19 134.14 49.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.59 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -20.25 17.07 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.536 1.808 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.421 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -59.97 -15.97 26.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.48 ' O ' ' OD1' ' A' ' 93' ' ' ASN . 45.1 p30 -90.68 155.62 18.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.68 -74.27 0.33 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.126 . . . . 0.0 111.052 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -125.13 -45.73 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -176.41 -130.63 1.37 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -76.99 -0.23 23.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 0.798 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.98 -43.33 7.2 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.39 -51.09 3.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 0.812 . . . . 0.0 110.239 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.6 ttm-85 61.33 141.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.0 t -70.84 166.49 20.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -143.89 131.57 21.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.444 HD11 ' CG1' ' A' ' 81' ' ' ILE . 4.4 tp -55.6 -39.86 71.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -60.31 -45.25 94.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -57.65 -46.66 83.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.2 mt -67.71 -20.85 65.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.94 -43.5 92.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 105.1 1.63 41.75 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.94 6.4 21.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.437 ' CB ' ' SD ' ' A' ' 113' ' ' MET . . . -58.5 144.85 41.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -60.76 126.78 28.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 89.26 -9.3 77.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.537 ' CE ' ' CD2' ' A' ' 124' ' ' LEU . 30.1 mtp -102.78 -17.75 15.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.1 t -85.21 121.89 37.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.06 2.34 68.97 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -138.74 104.24 7.57 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.459 0.74 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.48 ' CB ' ' CD1' ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.0 -69.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.527 1.804 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -53.74 -41.98 67.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.64 -40.99 99.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.469 1.106 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.409 ' CG ' ' HE1' ' A' ' 113' ' ' MET . 0.6 OUTLIER -60.45 -45.14 94.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 0.737 . . . . 0.0 110.328 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -60.14 -31.34 69.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.12 -16.0 58.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.468 ' CD1' ' HG3' ' A' ' 113' ' ' MET . 0.6 OUTLIER -86.07 -17.08 36.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.537 ' CD2' ' CE ' ' A' ' 113' ' ' MET . 0.1 OUTLIER -128.85 121.43 28.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.414 ' HD2' ' N ' ' A' ' 125' ' ' ARG . 0.2 OUTLIER -43.35 160.09 0.22 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 109.12 2.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 160.97 -44.6 0.4 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.421 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 7.5 mt-10 -57.07 -32.51 66.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 0.778 . . . . 0.0 110.261 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -41.69 99.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 56.9 t -59.53 -39.77 80.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.57 90.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.2 mt -69.07 -38.61 78.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.485 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 58.6 m -68.37 -40.3 81.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.394 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.76 -42.51 77.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.5 p -68.97 -34.61 75.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.034 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.7 -43.3 97.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.454 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -70.02 -33.04 71.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -73.0 -29.51 63.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.422 ' HB1' ' N ' ' A' ' 73' ' ' TRP . . . -78.75 -33.79 46.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.577 ' CZ ' HD23 ' A' ' 31' ' ' LEU . 5.7 t80 -74.4 -40.7 61.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -70.73 -24.88 62.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -73.59 -41.57 62.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 7.8 t -68.66 -43.35 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -72.9 -21.5 60.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 147' ' ' ALA . 1.6 mtp180 -67.78 -41.97 82.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -41.12 98.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 145' ' ' ARG . . . -174.3 155.77 2.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -117.91 126.82 27.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 139.26 23.97 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.783 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -104.02 151.95 22.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -87.69 147.28 20.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.534 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo -74.94 -47.52 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 111.059 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' TRP . . . . . 0.571 ' CZ3' HD13 ' A' ' 180' ' ' LEU . 30.0 p90 -101.67 -30.65 11.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 108.027 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -54.08 -32.0 53.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -79.13 -22.14 45.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.108 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.568 HG22 ' CE1' ' A' ' 167' ' ' PHE . 15.5 mt -79.65 120.5 31.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.535 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 63.9 m -129.26 126.35 38.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . 0.659 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 14.7 tm0? -66.51 129.62 40.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.439 ' O ' ' NE2' ' A' ' 158' ' ' GLN . . . -123.23 164.83 16.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -23.62 13.67 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.81 -31.01 61.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.413 ' HG3' ' NH2' ' A' ' 170' ' ' ARG . 46.5 mm-40 -99.77 135.66 40.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.458 ' HB2' ' CB ' ' A' ' 166' ' ' ASP . 2.7 m -57.39 156.12 8.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . 0.578 ' CE2' HG21 ' A' ' 219' ' ' ILE . 0.8 OUTLIER -69.09 -51.83 34.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.47 ' CG2' HG22 ' A' ' 219' ' ' ILE . 1.1 p -66.23 -43.91 91.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.458 ' CB ' ' HB2' ' A' ' 163' ' ' SER . 39.5 t0 -56.3 -45.83 80.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.659 ' CZ ' ' N ' ' A' ' 158' ' ' GLN . 77.9 t80 -67.69 -43.46 80.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 193' ' ' PHE . . . -55.51 -34.2 64.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -66.3 -50.17 64.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 109.304 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.413 ' NH2' ' HG3' ' A' ' 162' ' ' GLU . 10.9 mtm105 -59.79 -38.13 81.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.566 HD13 ' CE2' ' A' ' 167' ' ' PHE . 3.3 tt -69.24 -49.45 56.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . 0.431 ' CG1' HG21 ' A' ' 189' ' ' ILE . 16.5 mt -57.68 -40.46 75.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -63.25 -36.93 85.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . 0.477 ' HB2' ' CD1' ' A' ' 156' ' ' ILE . . . -68.33 -52.95 27.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . . . . . . . . . 42.5 t -57.12 -45.61 84.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.53 -43.0 89.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -88.9 22.3 22.74 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.125 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 49.2 p -118.6 165.87 13.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 109.958 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.46 90.31 5.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.571 HD13 ' CZ3' ' A' ' 153' ' ' TRP . 10.0 mt -119.16 162.77 30.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 172.43 16.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.791 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 136.75 20.82 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.789 . . . . 0.0 111.018 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.04 7.35 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -99.7 -15.48 18.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -88.78 79.61 7.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.48 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 170.47 -55.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' PRO . . . . . 0.48 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -75.03 -27.64 9.79 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 29.1 t -70.88 -40.47 76.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . 0.431 HG21 ' CG1' ' A' ' 172' ' ' ILE . 19.1 mt -67.94 -48.27 75.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' ILE . . . . . 0.46 ' CD1' ' C ' ' A' ' 213' ' ' THR . 94.3 mt -64.62 -35.47 74.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.73 -43.43 90.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 26.0 m -56.91 -49.47 75.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 108.29 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 168' ' ' ALA . 13.3 m-30 -53.15 -40.75 64.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' ARG . . . . . 0.459 ' O ' ' NE2' ' A' ' 202' ' ' GLN . 0.1 OUTLIER -96.25 15.67 20.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -94.51 -46.03 7.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.277 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 196' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 197' ' ' SER . 16.3 mtpt -141.17 -92.46 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 197' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 196' ' ' LYS . 0.7 OUTLIER 36.78 -156.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.021 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -80.48 158.79 70.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -38.82 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.464 1.771 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -65.62 -32.38 73.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 16.6 mm -73.1 -45.27 54.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.34 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 194' ' ' ARG . 6.8 mt-30 -62.13 -38.6 89.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . 0.448 ' O ' ' NE2' ' A' ' 203' ' ' GLN . 31.5 tp60 -63.06 -34.84 78.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . 0.471 HD22 ' CG ' ' A' ' 225' ' ' ARG . 0.3 OUTLIER -70.37 -49.55 48.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -38.12 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -34.0 77.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -89.48 2.25 54.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.253 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 208' ' ' ALA . . . . . 0.522 ' HA ' ' CE2' ' A' ' 221' ' ' TYR . . . -62.37 158.19 49.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.82 41.18 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.537 1.809 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.55 24.63 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.04 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 14.9 t -109.33 -1.77 18.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.417 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 212' ' ' LEU . . . . . 0.501 ' O ' ' CG2' ' A' ' 213' ' ' THR . 0.5 OUTLIER -148.67 145.16 27.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 213' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 212' ' ' LEU . 1.7 p -160.95 50.54 0.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.436 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 69.6 p -123.61 158.88 57.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.424 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 54.35 3.62 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -158.98 -54.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.142 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -74.05 -34.74 64.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 218' ' ' ILE . . . . . 0.486 HD11 ' CD1' ' A' ' 212' ' ' LEU . 0.7 OUTLIER -64.3 -41.54 92.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 219' ' ' ILE . . . . . 0.578 HG21 ' CE2' ' A' ' 164' ' ' PHE . 5.3 mt -74.67 -50.26 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -33.49 64.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.522 ' CE2' ' HA ' ' A' ' 208' ' ' ALA . 10.4 t80 -71.87 -49.4 38.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 12.8 t -60.29 -43.99 94.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 19.5 mt -63.68 -41.21 98.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.22 -35.48 80.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . 0.471 ' CG ' HD22 ' A' ' 204' ' ' LEU . 1.5 tpm_? -74.97 -38.82 61.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -52.34 -49.67 63.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.95 108.56 13.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 1.1 pp -94.05 -23.93 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . 59.31 158.29 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.468 1.773 . . . . 0.0 110.962 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.403 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 10.8 t -130.02 142.41 45.28 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 12' ' ' THR . 18.4 Cg_endo -74.99 125.52 9.38 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.793 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.48 ' CG ' HD12 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -62.0 140.46 58.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -109.28 133.05 20.91 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -44.81 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -36.95 72.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.19 -38.77 75.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.48 HD12 ' CG ' ' A' ' 14' ' ' LEU . 11.0 mt -69.74 -36.98 72.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.1 m -61.72 -50.06 73.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.406 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -64.45 -37.89 89.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.455 ' CD1' HD23 ' A' ' 43' ' ' LEU . 1.4 mt -66.39 -43.74 85.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.47 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -65.18 -32.2 73.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.05 -46.04 90.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.412 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.3 m -59.55 -39.35 83.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.451 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.434 ' CG1' HG21 ' A' ' 36' ' ' THR . 2.7 t -59.33 -40.51 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -48.51 68.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.243 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.0 p -67.48 -30.46 70.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.356 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.457 ' CB ' HG23 ' A' ' 35' ' ' ILE . 17.5 mmtt -84.75 -13.33 51.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.16 126.01 5.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.452 HD12 ' CZ ' ' A' ' 140' ' ' PHE . 0.5 OUTLIER -66.88 -31.22 71.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.76 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.59 2.13 55.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.78 164.63 38.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.977 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 37' ' ' MET . 18.3 Cg_endo -74.95 -45.09 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.457 HG23 ' CB ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -41.44 -29.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.15 . . . . 0.0 109.337 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.522 HG22 ' CZ ' ' A' ' 140' ' ' PHE . 19.4 m -60.39 -48.99 79.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -63.22 -39.72 95.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.939 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.99 84.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.27 -47.04 84.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.449 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 34.5 t -61.74 -47.55 92.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 45' ' ' SER . 4.3 mt-10 -62.75 -24.55 67.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.17 -55.56 17.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.469 ' CD1' HD22 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -72.26 -42.12 65.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.499 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 29.8 mtt -74.07 -10.12 59.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 44' ' ' MET . 6.1 m -34.41 -35.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.4 OUTLIER -109.12 165.85 11.89 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.058 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 147.08 33.35 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.531 1.806 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.412 HD13 ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -140.57 -173.73 3.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.65 165.14 34.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -34.03 4.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.422 1.749 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.445 ' O ' ' OG1' ' A' ' 54' ' ' THR . 1.5 t-160 -67.62 -43.88 79.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.551 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -64.23 -32.47 74.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.412 ' CG2' HD13 ' A' ' 48' ' ' LEU . 2.1 t -59.39 -47.84 89.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.447 ' CG2' ' HE1' ' A' ' 70' ' ' MET . 19.1 p -67.43 -42.55 82.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.378 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -60.96 -42.62 98.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 43' ' ' LEU . 15.4 tp -69.36 -50.1 49.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.564 ' HG3' ' CZ2' ' A' ' 69' ' ' TRP . 19.1 mmt -57.63 -30.91 65.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 35.6 ttt85 -69.53 -37.17 77.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.465 HG11 ' CB ' ' A' ' 23' ' ' ALA . 34.4 t -69.5 -47.34 72.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.47 HG12 ' CB ' ' A' ' 23' ' ' ALA . 97.6 mt -71.58 -43.17 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.408 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -114.81 124.45 51.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.488 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -55.67 -173.1 0.13 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.416 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.4 Cg_endo -74.97 -19.46 17.89 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 111.04 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.551 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -71.46 -59.06 3.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.551 ' HD3' ' CB ' ' A' ' 64' ' ' ALA . 18.6 Cg_endo -74.96 4.76 4.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 58' ' ' ARG . 1.3 t80 -77.67 -48.88 15.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.89 -33.75 72.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.4 mp -69.28 -44.36 72.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.564 ' CZ2' ' HG3' ' A' ' 57' ' ' MET . 25.6 t90 -70.53 -35.46 73.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 107.991 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.447 ' HE1' ' CG2' ' A' ' 54' ' ' THR . 3.0 mmt -64.36 -41.6 96.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -70.7 -42.28 70.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.99 -38.78 83.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.454 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 14.7 t90 -62.94 -41.52 99.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 107.994 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.25 -45.16 94.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.1 t -68.1 -47.09 80.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -56.21 -45.54 79.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.469 ' CD2' HD12 ' A' ' 106' ' ' LEU . 3.2 mt -60.62 -46.61 89.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.418 ' N ' HD11 ' A' ' 103' ' ' LEU . 43.3 mt-30 -63.01 -30.62 71.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -66.84 -37.17 83.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.85 -47.05 89.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.463 HG13 ' CG2' ' A' ' 101' ' ' THR . 1.5 mp -66.27 -45.38 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.11 -36.77 80.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.561 ' HB1' ' CD2' ' A' ' 90' ' ' HIS . . . -64.71 -49.45 70.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.438 ' HB3' ' CB ' ' A' ' 90' ' ' HIS . . . -63.26 -34.97 78.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.2 m -68.22 -40.56 82.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.7 mtt85 -72.26 -43.41 64.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.33 122.27 13.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.66 3.69 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -120.6 -5.6 9.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.561 ' CD2' ' HB1' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -73.03 130.73 84.53 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.612 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -21.43 15.88 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.797 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.407 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -66.66 -10.46 46.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.455 ' O ' ' OD1' ' A' ' 93' ' ' ASN . 30.4 p-10 -88.76 155.38 19.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.98 -141.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -175.89 42.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -123.85 -123.65 2.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.442 ' NE ' ' O ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -90.65 -1.26 57.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.771 . . . . 0.0 110.275 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -125.65 -47.07 0.22 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 39.49 42.44 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 0.782 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -129.19 126.04 38.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.463 ' CG2' HG13 ' A' ' 81' ' ' ILE . 4.3 t -75.14 169.52 17.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.389 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.404 ' N ' ' HG1' ' A' ' 101' ' ' THR . 10.1 m120 -150.48 144.54 25.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.418 HD11 ' N ' ' A' ' 78' ' ' GLN . 1.9 tp -59.98 -40.82 90.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.87 -45.17 95.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -41.2 97.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.469 HD12 ' CD2' ' A' ' 77' ' ' LEU . 7.2 mt -72.24 -19.48 61.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.34 -51.33 11.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.466 ' HA2' ' CE ' ' A' ' 113' ' ' MET . . . 110.69 27.56 4.31 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.7 tp -107.04 5.69 28.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.43 ' CB ' ' SD ' ' A' ' 113' ' ' MET . . . -64.73 151.34 45.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.23 128.34 36.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.55 -16.64 60.84 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.56 1.163 . . . . 0.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.466 ' CE ' ' HA2' ' A' ' 108' ' ' GLY . 32.9 mtp -102.54 -23.74 13.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.6 t -72.1 122.23 24.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.79 2.51 75.32 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.438 1.086 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.464 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 18.5 m-20 -138.51 104.07 7.76 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -68.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -49.14 69.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.91 -35.76 84.54 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 0.0 OUTLIER -65.64 -44.15 87.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.15 73.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.23 -15.97 59.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.456 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 0.2 OUTLIER -86.54 -28.23 23.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.403 ' CD2' ' HE2' ' A' ' 113' ' ' MET . 1.1 mt -92.36 120.92 33.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.98 156.98 0.42 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 108.9 2.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.439 1.757 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 152.02 -43.31 0.67 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.407 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 24.8 mt-10 -56.76 -34.35 67.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 110.332 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.7 mt -58.76 -44.11 90.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 8.7 t -59.64 -39.83 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.53 -37.25 70.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 45.0 mt -69.22 -42.0 81.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.432 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 4.1 m -62.75 -48.55 78.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.419 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.47 88.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -36.61 79.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.989 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.05 -43.28 92.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.499 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.3 OUTLIER -69.7 -33.73 72.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -69.15 -41.52 77.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.418 ' HB1' ' N ' ' A' ' 73' ' ' TRP . . . -68.66 -33.16 73.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.522 ' CZ ' HG22 ' A' ' 36' ' ' THR . 5.8 t80 -61.26 -65.42 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -52.96 -25.1 10.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.59 -34.09 75.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 4.1 t -77.99 -33.04 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -72.84 -45.99 55.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -32.82 66.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.44 -65.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . 179.06 160.25 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.65 156.39 46.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 59.15 5.1 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -103.96 151.99 22.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -134.04 -179.19 16.18 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.57 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.5 Cg_endo -75.02 -46.57 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' TRP . . . . . 0.57 ' CE3' ' HG2' ' A' ' 152' ' ' PRO . 38.3 p90 -92.83 -20.79 20.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 108.012 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -61.27 -32.61 72.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 109.247 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.66 -14.43 58.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.517 HG21 ' CE1' ' A' ' 167' ' ' PHE . 4.0 mt -92.84 120.72 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.604 ' C ' ' CZ ' ' A' ' 167' ' ' PHE . 2.7 m -129.44 137.63 50.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.363 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . 0.513 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 1.1 tm0? -77.73 127.14 31.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -122.38 160.35 16.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . 0.429 ' HB3' ' OE1' ' A' ' 198' ' ' GLN . 18.1 Cg_endo -75.05 -19.84 17.34 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 56.5 p -79.48 -16.66 55.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.06 136.67 52.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.432 ' CB ' ' HB2' ' A' ' 166' ' ' ASP . 0.3 OUTLIER -56.22 133.1 52.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.021 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . 0.52 ' CE2' HG23 ' A' ' 219' ' ' ILE . 1.5 t80 -56.54 -52.59 64.19 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.481 HG21 ' CG2' ' A' ' 219' ' ' ILE . 0.5 OUTLIER -62.66 -37.53 79.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.432 ' HB2' ' CB ' ' A' ' 163' ' ' SER . 35.5 m-20 -62.92 -48.18 80.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.604 ' CZ ' ' C ' ' A' ' 157' ' ' THR . 87.6 t80 -67.15 -37.71 84.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -57.83 -36.87 72.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -67.06 -47.28 71.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 32.3 mtp85 -61.74 -37.6 84.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.579 HD13 ' CE2' ' A' ' 167' ' ' PHE . 0.5 OUTLIER -70.22 -50.4 40.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . 0.439 ' CG1' HG22 ' A' ' 189' ' ' ILE . 37.6 mt -57.93 -38.67 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.86 -36.61 83.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . 0.474 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -68.84 -51.03 44.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . . . . . . . . . 52.6 t -59.22 -48.03 88.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.98 -35.17 61.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -102.02 26.41 24.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 25.8 p -116.39 166.07 12.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.765 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -88.72 80.52 7.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.547 ' CD1' ' CZ3' ' A' ' 153' ' ' TRP . 17.5 mt -123.6 154.08 66.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 162.24 37.37 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 64.94 6.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.445 1.761 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 4.2 t -179.18 -37.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.402 ' C ' ' HD2' ' A' ' 187' ' ' PRO . . . -80.97 -11.61 59.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -84.29 70.3 10.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.513 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 174.59 -57.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' PRO . . . . . 0.513 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.1 Cg_endo -74.97 -26.9 10.54 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.506 1.793 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 20.7 t -66.39 -38.44 81.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . 0.439 HG22 ' CG1' ' A' ' 172' ' ' ILE . 16.2 mt -68.21 -48.06 75.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' ILE . . . . . 0.416 ' CD1' ' C ' ' A' ' 213' ' ' THR . 53.3 mt -66.35 -35.86 75.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.93 -36.27 78.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' CYS . . . . . 0.404 ' HA ' ' HB2' ' A' ' 195' ' ' GLN . 34.9 m -62.83 -48.37 79.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 108.281 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' PHE . . . . . 0.417 ' O ' ' OG ' ' A' ' 197' ' ' SER . 9.0 m-30 -53.7 -50.72 65.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' ARG . . . . . 0.454 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 8.5 ptm180 -76.86 1.04 18.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . 0.404 ' HB2' ' HA ' ' A' ' 192' ' ' CYS . 1.1 tp60 -81.75 -40.92 21.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.254 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.55 78.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 197' ' ' SER . . . . . 0.606 ' O ' ' O ' ' A' ' 198' ' ' GLN . 25.4 p -145.15 92.16 2.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 110.043 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 198' ' ' GLN . . . . . 0.606 ' O ' ' O ' ' A' ' 197' ' ' SER . 0.5 OUTLIER 51.25 156.0 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -44.31 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.473 1.775 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -45.64 76.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.503 ' HB ' ' O ' ' A' ' 197' ' ' SER . 12.7 mm -59.71 -29.84 43.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -49.19 32.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . 0.492 ' O ' ' CB ' ' A' ' 207' ' ' ALA . 1.1 mt-30 -66.37 -27.66 68.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . 0.471 HD23 ' CB ' ' A' ' 225' ' ' ARG . 0.4 OUTLIER -68.42 -49.26 61.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.475 ' O ' ' CB ' ' A' ' 208' ' ' ALA . 1.2 mt -68.8 -48.78 69.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 206' ' ' ARG . . . . . 0.47 ' CD ' ' HA ' ' A' ' 203' ' ' GLN . 2.2 ptm180 -59.47 -33.44 71.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 207' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 203' ' ' GLN . . . -89.42 3.75 51.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 208' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 205' ' ' ILE . . . -64.51 158.26 67.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 153.71 41.98 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.512 1.796 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.19 14.15 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 12.4 t -96.27 -5.9 39.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 110.417 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 212' ' ' LEU . . . . . 0.506 ' O ' ' CG2' ' A' ' 213' ' ' THR . 0.4 OUTLIER -148.54 145.4 27.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 213' ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' ' 212' ' ' LEU . 1.7 p -161.12 46.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 56.0 p -120.45 158.3 51.61 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.46 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 54.65 3.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -160.87 -50.12 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -74.37 -36.73 63.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.757 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 218' ' ' ILE . . . . . 0.466 ' CD1' ' N ' ' A' ' 218' ' ' ILE . 1.1 mp -63.7 -51.47 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 219' ' ' ILE . . . . . 0.52 HG23 ' CE2' ' A' ' 164' ' ' PHE . 3.5 mt -63.7 -45.87 96.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.69 -34.94 73.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.439 ' CE2' ' HA ' ' A' ' 208' ' ' ALA . 0.3 OUTLIER -74.02 -48.5 29.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . 0.475 HG11 ' CD1' ' A' ' 201' ' ' ILE . 5.4 t -59.99 -45.56 95.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 33.1 mt -62.99 -35.77 81.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -67.97 -35.55 78.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . 0.471 ' CB ' HD23 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -74.62 -44.67 49.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.275 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -54.18 -36.61 63.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.8 137.6 36.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 7.4 tt -107.82 160.26 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . -141.05 160.67 57.16 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.518 1.799 . . . . 0.0 110.965 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.3 m -132.64 105.54 13.0 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 145.28 31.34 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.543 1.812 . . . . 0.0 111.026 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.478 ' CD2' HD12 ' A' ' 19' ' ' ILE . 7.5 tt -75.3 109.02 8.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.466 ' CG ' HD11 ' A' ' 18' ' ' LEU . 1.7 pt-20 -134.32 161.75 61.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -37.83 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -58.43 -49.74 76.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.466 HD11 ' CG ' ' A' ' 15' ' ' GLU . 97.0 mt -69.92 -45.48 67.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.478 HD12 ' CD2' ' A' ' 14' ' ' LEU . 39.4 mt -58.18 -36.64 58.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.2 m -66.79 -41.7 87.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 110.333 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 mtp85 -67.5 -48.95 65.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.472 HD21 ' CG ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER -64.66 -44.57 89.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.422 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -61.76 -31.6 71.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -61.52 -42.78 99.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.409 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -63.04 -37.59 87.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.378 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.468 ' CG1' HG22 ' A' ' 36' ' ' THR . 1.7 t -56.49 -49.35 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -48.41 81.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.3 p -60.47 -34.76 74.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.383 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.473 ' CG ' HG23 ' A' ' 35' ' ' ILE . 16.5 mmtt -82.39 -14.5 55.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.1 130.02 6.9 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.24 -29.47 69.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.411 ' CG ' ' O ' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -90.59 2.52 55.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.62 164.09 41.49 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.004 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' MET . 18.2 Cg_endo -75.03 -45.97 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.473 HG23 ' CG ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -41.04 -29.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.468 HG22 ' CG1' ' A' ' 26' ' ' VAL . 39.4 m -61.41 -49.45 76.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.374 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -64.26 -42.01 96.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.46 -51.7 66.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.472 ' CG ' HD21 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -59.86 -47.22 86.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.508 HG23 ' CE2' ' A' ' 140' ' ' PHE . 6.4 t -59.63 -39.66 80.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 45' ' ' SER . 0.6 OUTLIER -71.25 -24.62 62.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.401 ' O ' ' OG ' ' A' ' 45' ' ' SER . . . -61.7 -54.46 42.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.21 -48.02 53.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.49 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 18.2 mtt -67.96 -10.7 55.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' GLU . 78.7 p -37.65 -31.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.014 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.5 OUTLIER -110.74 165.02 13.48 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.0 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 149.94 37.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.532 1.806 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.5 ' CD1' ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -150.85 173.96 13.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.434 HD22 ' N ' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -78.87 165.09 51.66 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -30.4 7.25 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.459 ' O ' ' OG1' ' A' ' 54' ' ' THR . 27.9 t60 -65.93 -47.89 73.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.576 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -64.81 -31.16 72.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.5 ' CG2' ' CD1' ' A' ' 48' ' ' LEU . 3.5 t -59.51 -47.66 90.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.519 ' CG2' ' CZ3' ' A' ' 73' ' ' TRP . 4.6 p -66.4 -41.49 89.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.401 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -68.02 -35.08 77.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.42 ' CD1' ' CD1' ' A' ' 19' ' ' ILE . 1.1 tt -70.37 -53.55 16.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.551 ' SD ' ' CZ2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -61.17 -41.53 96.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 111.004 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 61' ' ' LEU . 1.9 ttt180 -55.57 -36.93 67.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.9 t -69.41 -34.23 61.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.422 HG12 ' CB ' ' A' ' 23' ' ' ALA . 7.2 mt -77.57 -43.89 29.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -119.79 126.94 52.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.469 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -53.28 -170.1 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.4 ' O ' ' HB3' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.04 -19.07 18.12 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.517 1.799 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.572 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -70.17 -59.68 4.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.097 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.572 ' HD3' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.99 1.81 7.32 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.509 1.794 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.57 ' CE1' ' SD ' ' A' ' 70' ' ' MET . 39.0 t80 -71.72 -47.65 52.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.78 75.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.456 ' CB ' HG23 ' A' ' 143' ' ' VAL . 6.2 mp -65.68 -45.03 84.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.551 ' CZ2' ' SD ' ' A' ' 57' ' ' MET . 71.0 t90 -69.33 -36.79 77.3 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.57 ' SD ' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -64.44 -44.75 90.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -65.54 -42.46 91.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.467 ' HB3' ' CB ' ' A' ' 139' ' ' ALA . . . -69.57 -36.64 76.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.519 ' CZ3' ' CG2' ' A' ' 54' ' ' THR . 14.7 t90 -66.65 -37.33 84.58 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.406 ' O ' ' NE2' ' A' ' 78' ' ' GLN . . . -60.97 -42.4 99.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.03 -47.17 79.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.786 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.455 ' OE1' ' CB ' ' A' ' 138' ' ' GLN . 45.0 mm-40 -57.94 -43.8 86.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.451 ' CD2' HD11 ' A' ' 106' ' ' LEU . 1.3 mt -64.2 -45.43 88.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.419 ' N ' HD13 ' A' ' 103' ' ' LEU . 39.0 mt-30 -61.22 -31.71 71.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 m -63.64 -38.47 91.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.386 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.75 -34.82 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.5 mm -71.81 -50.12 40.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.91 -47.08 86.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.56 -48.38 77.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.45 -47.85 83.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 m -58.88 -31.2 68.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -74.96 -43.12 55.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -121.26 114.6 31.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 54.38 3.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -142.53 14.66 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.447 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -85.08 140.31 36.97 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.626 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -21.39 15.85 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.472 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -63.47 -22.19 66.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.475 ' CA ' ' HB ' ' A' ' 101' ' ' THR . 15.5 p30 -98.6 154.12 18.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.25 -121.17 0.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -75.34 -61.62 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.44 -1.07 12.66 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.7 mtt-85 -95.55 -0.71 51.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 110.324 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 160.69 43.59 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.17 -72.6 0.34 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 0.792 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.57 151.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.475 ' HB ' ' CA ' ' A' ' 93' ' ' ASN . 9.0 t -74.33 147.89 41.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.54 147.62 52.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 5.5 tp -64.41 -45.77 86.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.484 ' HA ' ' CG ' ' A' ' 107' ' ' LYS . 56.6 t0 -57.58 -37.85 73.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.19 -35.18 59.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.451 HD11 ' CD2' ' A' ' 77' ' ' LEU . 46.9 mt -86.05 -29.97 23.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.484 ' CG ' ' HA ' ' A' ' 104' ' ' ASP . 11.9 mmtt -47.18 -44.42 22.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 103.71 4.86 45.61 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.72 4.74 53.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.787 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.81 132.11 52.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.86 135.13 7.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.09 -18.86 37.9 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.468 ' CG ' HD11 ' A' ' 123' ' ' LEU . 5.1 mtt -102.4 -2.4 28.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 0.798 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 1.7 t -93.57 122.18 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 78.43 2.13 83.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -123.19 107.1 32.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.321 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -77.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -53.95 -35.38 61.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -66.85 -39.41 93.43 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.464 ' CG ' HD11 ' A' ' 124' ' ' LEU . 29.8 tt0 -64.64 -43.77 92.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.754 . . . . 0.0 110.324 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.78 -33.83 76.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.21 -24.96 51.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.468 HD11 ' CG ' ' A' ' 113' ' ' MET . 0.2 OUTLIER -79.03 -31.49 44.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.464 HD11 ' CG ' ' A' ' 120' ' ' GLN . 1.5 mt -86.78 177.71 7.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.445 ' NH1' ' HB2' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -109.1 156.84 38.51 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.304 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 108.84 2.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.559 1.821 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.99 -36.6 1.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.472 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 6.7 mt-10 -67.07 -31.88 72.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.09 -49.04 79.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.54 -39.45 81.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.22 -44.44 88.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.9 mt -68.63 -38.83 79.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.488 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 62.5 m -63.51 -43.88 95.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.96 -47.93 67.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.4 m -58.77 -33.86 70.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.958 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.42 -43.12 91.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.49 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -65.4 -36.77 84.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.455 ' CB ' ' OE1' ' A' ' 76' ' ' GLN . 6.1 mm-40 -64.3 -43.62 94.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 72' ' ' ALA . . . -67.62 -32.28 72.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.508 ' CE2' HG23 ' A' ' 40' ' ' VAL . 2.4 t80 -61.97 -49.06 77.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.943 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -31.38 71.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -61.8 -41.86 98.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.456 HG23 ' CB ' ' A' ' 68' ' ' LEU . 77.8 t -77.87 -43.21 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.411 ' O ' ' CG ' ' A' ' 32' ' ' ARG . . . -55.19 -49.99 70.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -60.04 -42.27 94.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.19 107.94 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -157.51 87.83 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -116.42 147.51 39.77 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.02 3.46 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.495 1.787 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -99.93 151.34 21.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 48.8 82.94 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 155' ' ' ASP . 18.4 Cg_endo -74.94 -46.98 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.471 1.774 . . . . 0.0 111.033 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' TRP . . . . . 0.586 ' CH2' ' HG ' ' A' ' 180' ' ' LEU . 18.5 p90 -51.75 -30.97 24.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 108.02 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.19 -31.88 73.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 152' ' ' PRO . 32.1 t70 -79.25 -22.07 45.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.603 ' CD1' ' CB ' ' A' ' 174' ' ' ALA . 9.5 mt -83.55 120.68 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.57 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 64.8 p -131.25 144.7 51.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . 0.561 ' HG2' ' CD2' ' A' ' 167' ' ' PHE . 0.0 OUTLIER -79.46 122.55 26.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 110.313 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.454 ' N ' ' OE1' ' A' ' 158' ' ' GLN . . . -111.46 163.36 12.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.42 15.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.88 -30.25 35.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.011 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -102.78 135.59 44.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.4 t -57.25 132.85 54.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.086 . . . . 0.0 110.01 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . 0.574 ' CE2' HG22 ' A' ' 219' ' ' ILE . 1.7 t80 -56.79 -52.46 64.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.491 HG21 ' CG2' ' A' ' 219' ' ' ILE . 0.3 OUTLIER -59.73 -48.2 88.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.484 ' N ' ' CG1' ' A' ' 165' ' ' VAL . 2.0 t0 -56.56 -44.65 81.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.57 ' CE1' ' C ' ' A' ' 157' ' ' THR . 1.1 t80 -65.86 -38.99 90.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.487 ' HB1' ' CZ ' ' A' ' 193' ' ' PHE . . . -56.82 -33.74 67.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -69.29 -49.56 54.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.419 ' NH2' ' HD2' ' A' ' 173' ' ' LYS . 3.3 mmp_? -60.59 -37.09 80.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.276 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.553 HD13 ' CZ ' ' A' ' 167' ' ' PHE . 5.2 tt -72.36 -49.08 36.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 55.1 mt -56.48 -46.7 82.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' LYS . . . . . 0.419 ' HD2' ' NH2' ' A' ' 170' ' ' ARG . 0.2 OUTLIER -60.18 -39.93 88.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . 0.603 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -63.24 -44.92 93.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . 0.477 ' CG1' ' HG2' ' A' ' 185' ' ' ARG . 22.6 t -65.47 -38.49 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -36.78 58.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -106.16 24.51 26.17 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 4.2 p -108.74 166.45 10.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 0.76 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -78.88 66.48 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.586 ' HG ' ' CH2' ' A' ' 153' ' ' TRP . 7.7 mt -131.33 140.97 40.13 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.58 42.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . 0.517 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.3 Cg_endo -74.96 82.02 2.08 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.6 OUTLIER 157.89 -31.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.613 ' O ' ' CG2' ' A' ' 188' ' ' VAL . . . -84.81 -18.92 33.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . 0.529 ' O ' ' CD1' ' A' ' 189' ' ' ILE . 58.6 mtm180 -75.29 -21.56 58.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.536 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . -64.01 -58.4 14.69 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' PRO . . . . . 0.536 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.1 Cg_endo -75.04 -37.55 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.78 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.613 ' CG2' ' O ' ' A' ' 184' ' ' ALA . 21.9 t -57.16 -39.86 69.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . 0.529 ' CD1' ' O ' ' A' ' 185' ' ' ARG . 50.3 mt -68.04 -48.33 74.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' ILE . . . . . 0.431 HD13 ' N ' ' A' ' 214' ' ' THR . 65.2 mt -63.0 -42.29 96.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 195' ' ' GLN . 0.6 OUTLIER -59.12 -40.46 85.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' CYS . . . . . 0.472 ' CB ' HD11 ' A' ' 171' ' ' LEU . 83.0 m -53.61 -45.94 70.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 108.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' PHE . . . . . 0.487 ' CZ ' ' HB1' ' A' ' 168' ' ' ALA . 6.4 m-30 -62.1 -30.64 71.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' ARG . . . . . 0.431 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 0.1 OUTLIER -113.35 29.97 7.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 191' ' ' ASP . 4.0 mt-30 -119.76 -40.21 2.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.337 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 196' ' ' LYS . . . . . 0.463 ' HG3' ' CG2' ' A' ' 157' ' ' THR . 0.1 OUTLIER -149.34 63.07 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 197' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 198' ' ' GLN . 2.0 m -146.11 157.87 43.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.967 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 198' ' ' GLN . . . . . 0.426 ' O ' ' O ' ' A' ' 197' ' ' SER . 0.1 OUTLIER -39.29 160.28 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 199' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 198' ' ' GLN . 18.2 Cg_endo -75.02 -32.05 5.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -57.93 -43.78 86.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 41.7 mm -74.9 -45.46 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -60.19 -38.66 83.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -65.57 -34.46 78.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . 0.469 HD12 ' CD ' ' A' ' 225' ' ' ARG . 0.3 OUTLIER -70.31 -48.94 54.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.431 ' CG2' ' HB3' ' A' ' 194' ' ' ARG . 0.5 OUTLIER -63.81 -40.02 87.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -64.17 -34.35 77.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -89.49 3.98 50.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 208' ' ' ALA . . . . . 0.531 ' HA ' ' CE2' ' A' ' 221' ' ' TYR . . . -61.33 154.17 64.6 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 154.67 42.86 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.485 1.781 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.26 11.11 15.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 17.7 m -94.26 -14.6 25.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 212' ' ' LEU . . . . . 0.484 ' O ' ' CG2' ' A' ' 213' ' ' THR . 0.2 OUTLIER -135.86 142.45 44.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 213' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' A' ' 212' ' ' LEU . 1.6 p -160.19 46.76 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.386 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 214' ' ' THR . . . . . 0.431 ' N ' HD13 ' A' ' 190' ' ' ILE . 38.1 p -126.54 159.23 64.45 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.397 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.83 3.77 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.549 1.815 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -156.41 -57.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -74.5 -30.4 61.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.244 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 218' ' ' ILE . . . . . 0.468 HD11 ' CD1' ' A' ' 212' ' ' LEU . 0.7 OUTLIER -63.14 -45.57 98.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 219' ' ' ILE . . . . . 0.574 HG22 ' CE2' ' A' ' 164' ' ' PHE . 3.4 mt -73.03 -45.68 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -57.23 -36.32 70.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.531 ' CE2' ' HA ' ' A' ' 208' ' ' ALA . 0.8 OUTLIER -71.55 -45.72 61.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 12.6 t -60.61 -48.7 87.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.459 ' CD1' HG21 ' A' ' 165' ' ' VAL . 83.9 mt -61.93 -37.87 86.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -66.98 -31.91 72.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . 0.469 ' CD ' HD12 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -77.57 -40.94 40.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -51.89 -46.83 64.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.38 112.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.37 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 228' ' ' ILE . . . . . 0.443 ' O ' ' CB ' ' A' ' 229' ' ' ALA . 4.7 mp -118.2 153.53 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 229' ' ' ALA . . . . . 0.466 ' N ' ' CD ' ' A' ' 230' ' ' PRO . . . 166.54 -54.55 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 230' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 229' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.8 m -132.22 105.23 13.55 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.387 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 142.01 27.35 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.797 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.405 ' HG ' ' CD1' ' A' ' 19' ' ' ILE . 3.3 tt -90.86 99.38 12.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.63 128.77 51.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -34.43 3.78 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.781 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.06 -43.79 77.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.5 mt -68.69 -41.45 79.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.405 ' CD1' ' HG ' ' A' ' 14' ' ' LEU . 23.1 mt -59.86 -37.49 72.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.2 m -66.54 -39.03 88.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 0.0 110.372 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -64.64 -48.46 74.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 110.372 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mt -66.46 -41.78 88.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.422 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -59.92 -36.66 77.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.89 -42.2 99.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.492 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -59.33 -37.46 77.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.414 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.493 HG11 ' CG2' ' A' ' 36' ' ' THR . 13.7 t -61.79 -43.81 97.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -48.3 80.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.7 p -71.11 -30.74 66.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.376 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 25' ' ' THR . 17.8 mmtt -82.57 -14.62 54.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 95.83 122.29 3.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.428 ' CD1' HG12 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -67.7 -27.95 67.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.5 ttt-85 -94.22 1.92 55.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 m -88.76 156.7 49.82 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.953 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 49.41 2.25 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.468 1.773 . . . . 0.0 111.019 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.437 HG22 ' CB ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -131.36 -34.88 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.655 ' CG2' ' CZ ' ' A' ' 140' ' ' PHE . 22.7 m -57.37 -42.6 82.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.396 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.474 ' CE ' ' HG3' ' A' ' 141' ' ' ARG . 0.3 OUTLIER -65.0 -41.19 95.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.65 -53.1 30.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.74 -47.29 86.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 36' ' ' THR . 44.8 t -60.15 -48.52 87.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 45' ' ' SER . 8.0 mt-10 -62.37 -24.41 67.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.346 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.45 -55.68 19.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 0.9 OUTLIER -72.8 -41.3 65.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.519 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 30.8 mtt -73.64 -10.98 60.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 41' ' ' GLU . 8.5 t -38.24 -30.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.985 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -110.95 166.55 10.55 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.955 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 147.12 33.36 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.5 1.789 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.47 ' CD1' HG21 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -146.99 165.11 30.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.92 163.13 53.0 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -34.08 4.06 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.496 1.787 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.413 ' O ' ' OG1' ' A' ' 54' ' ' THR . 62.3 m-70 -67.99 -40.58 83.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.571 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -63.9 -33.1 74.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' A' ' 48' ' ' LEU . 54.7 t -58.29 -45.56 89.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 51' ' ' HIS . 30.7 p -66.57 -44.99 80.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.372 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.457 ' ND2' ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -63.85 -35.33 80.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.443 HD21 ' CD1' ' A' ' 43' ' ' LEU . 3.1 tp -71.57 -52.29 18.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.544 ' HG2' ' CD1' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -58.25 -44.63 88.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' A' ' 61' ' ' LEU . 21.8 ttt180 -57.0 -36.45 70.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.9 t -70.66 -35.09 59.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.422 HG12 ' CB ' ' A' ' 23' ' ' ALA . 5.1 mt -77.16 -43.58 31.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -123.54 133.59 53.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.46 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -50.1 -176.69 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.416 ' O ' ' HB3' ' A' ' 66' ' ' TYR . 18.4 Cg_endo -75.0 -18.13 18.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.574 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -71.42 -59.76 3.01 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.574 ' HD3' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.0 0.5 8.83 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.444 1.76 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.422 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 27.2 t80 -75.16 -44.86 44.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.46 -29.84 68.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.45 ' CB ' HG22 ' A' ' 143' ' ' VAL . 6.9 mp -68.56 -44.38 74.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.544 ' CD1' ' HG2' ' A' ' 57' ' ' MET . 16.1 t90 -70.57 -39.84 73.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.044 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.0 mmt -60.7 -41.23 94.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -70.65 -44.8 66.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.72 -30.34 69.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.512 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 19.6 t90 -66.77 -37.28 84.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 108.018 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.34 -41.8 98.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.4 t -68.08 -46.86 80.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.453 ' CG ' ' HB3' ' A' ' 138' ' ' GLN . 1.7 mp0 -59.21 -46.54 88.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.486 ' CD2' ' CD1' ' A' ' 106' ' ' LEU . 2.8 mt -58.54 -44.05 89.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.407 ' N ' HD12 ' A' ' 103' ' ' LEU . 27.9 mt-30 -58.21 -37.07 74.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.48 -35.53 76.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.415 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.1 t -71.16 -37.94 68.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.468 HG12 ' CD1' ' A' ' 103' ' ' LEU . 6.3 mm -63.84 -49.39 82.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.45 -43.24 81.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.84 -46.47 81.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.57 -35.02 79.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.8 m -66.56 -41.83 88.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.7 mtt85 -69.02 -41.09 78.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -116.08 106.66 49.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 54.28 3.6 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.464 1.771 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -148.04 18.24 1.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.409 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -83.42 137.11 42.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.588 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.4 Cg_endo -74.96 -22.96 14.35 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.79 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.84 -15.79 45.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.43 ' CA ' ' HB ' ' A' ' 101' ' ' THR . 15.0 p30 -111.4 154.15 25.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -38.95 -79.58 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -169.14 63.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 0.782 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.07 -144.78 15.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -87.06 -0.44 56.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 0.737 . . . . 0.0 110.27 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.45 -34.94 80.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -125.27 -51.59 1.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 0.744 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 66.31 139.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.43 ' HB ' ' CA ' ' A' ' 93' ' ' ASN . 3.5 t -75.38 166.33 23.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -146.31 142.76 28.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.468 ' CD1' HG12 ' A' ' 81' ' ' ILE . 3.6 tp -56.86 -40.86 76.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -63.22 -42.93 99.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -55.07 -45.81 75.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.486 ' CD1' ' CD2' ' A' ' 77' ' ' LEU . 55.6 mt -70.28 -16.09 62.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.88 -14.64 41.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.37 33.68 8.52 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.87 6.62 47.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.492 ' CB ' ' SD ' ' A' ' 113' ' ' MET . . . -58.48 138.17 56.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -56.93 123.26 14.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.07 -14.06 54.79 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.492 ' SD ' ' CB ' ' A' ' 110' ' ' ALA . 15.3 mtt -92.76 -21.5 19.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.79 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 1.7 t -78.22 126.08 38.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.05 -6.67 76.33 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.464 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 4.0 t30 -134.75 107.94 10.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.762 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -61.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 111.016 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -54.4 -50.23 68.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -61.79 -37.39 94.23 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.48 1.112 . . . . 0.0 111.034 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 20.8 tt0 -63.9 -44.48 92.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 0.73 . . . . 0.0 110.241 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.53 -31.57 72.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.351 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.33 -21.79 55.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.83 -27.57 36.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.0 pp -113.29 118.84 35.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.79 165.14 0.23 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 108.9 2.82 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.555 1.819 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.76 -51.29 0.28 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.475 ' HG3' ' CD2' ' A' ' 106' ' ' LEU . 1.1 tt0 -57.1 -33.18 67.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 0.742 . . . . 0.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.99 -38.51 91.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.07 -39.87 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.57 94.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.432 ' CG1' HD23 ' A' ' 106' ' ' LEU . 31.6 mt -69.14 -38.56 78.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.358 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.472 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 87.6 m -65.84 -49.02 69.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.74 91.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 85.4 p -61.78 -33.93 74.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.52 -37.3 86.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.519 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -67.32 -40.07 85.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.453 ' HB3' ' CG ' ' A' ' 76' ' ' GLN . 0.3 OUTLIER -63.64 -40.05 95.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 110.285 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.56 -32.95 74.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.655 ' CZ ' ' CG2' ' A' ' 36' ' ' THR . 1.5 t80 -64.87 -57.07 9.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.474 ' HG3' ' CE ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -53.79 -27.59 30.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -68.17 -39.05 82.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.45 HG22 ' CB ' ' A' ' 68' ' ' LEU . 41.0 t -80.65 -41.52 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.9 -47.76 73.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.252 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -66.97 -42.74 84.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.32 113.98 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -74.37 150.54 40.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -74.17 153.96 88.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 136.45 20.34 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.71 107.31 3.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 141.86 79.18 0.05 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.483 1.114 . . . . 0.0 110.958 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.405 ' O ' ' N ' ' A' ' 155' ' ' ASP . 18.3 Cg_endo -75.02 -37.72 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.524 1.802 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' TRP . . . . . 0.577 ' CZ3' ' CD1' ' A' ' 180' ' ' LEU . 1.1 p90 -51.18 -33.04 25.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 108.021 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.71 -33.49 75.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 152' ' ' PRO . 89.3 m-20 -80.94 -20.78 41.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.575 HG23 ' CZ ' ' A' ' 167' ' ' PHE . 31.1 mt -82.03 121.15 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.611 ' C ' ' CZ ' ' A' ' 167' ' ' PHE . 24.1 p -124.24 136.79 54.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . 0.583 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 16.9 tp60 -75.24 112.93 12.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -114.17 162.6 12.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -26.19 11.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 80.7 p -71.69 -31.6 66.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.028 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -98.57 136.2 39.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.72 147.12 23.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -66.34 -52.09 50.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.528 ' CG2' ' CG2' ' A' ' 219' ' ' ILE . 1.4 t -65.74 -46.95 87.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -55.69 -47.56 76.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.611 ' CZ ' ' C ' ' A' ' 157' ' ' THR . 64.9 t80 -69.26 -26.54 64.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -66.25 -50.07 65.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -57.38 -41.96 81.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -61.17 -37.13 81.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.585 HD11 ' CE2' ' A' ' 167' ' ' PHE . 0.2 OUTLIER -72.45 -48.84 37.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 16.2 mt -57.62 -38.58 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -66.28 -37.67 85.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . 0.412 ' CB ' HD11 ' A' ' 156' ' ' ILE . . . -67.16 -52.9 35.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . . . . . . . . . 54.5 t -58.73 -46.07 90.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -52.53 -33.21 44.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -108.83 26.37 15.98 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 10.0 p -112.66 166.19 11.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 0.799 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -92.15 83.25 5.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.577 ' CD1' ' CZ3' ' A' ' 153' ' ' TRP . 22.2 mt -126.71 154.9 75.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 163.27 35.7 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.476 1.777 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.2 Cg_endo -75.01 81.92 2.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.459 1.768 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.4 OUTLIER 159.18 -26.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.406 ' C ' ' HD2' ' A' ' 187' ' ' PRO . . . -84.08 -11.3 56.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 -84.11 71.3 10.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.518 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 174.3 -56.95 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' PRO . . . . . 0.518 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -75.01 -26.75 10.6 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.781 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 7.9 t -69.89 -41.08 79.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . 0.432 ' CG2' ' HB3' ' A' ' 215' ' ' PRO . 50.5 mt -68.1 -48.28 74.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' ILE . . . . . 0.506 ' HA ' ' CD2' ' A' ' 193' ' ' PHE . 77.1 mt -63.1 -40.11 87.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 195' ' ' GLN . 9.2 t0 -62.2 -38.95 91.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' CYS . . . . . 0.474 ' CB ' HD12 ' A' ' 171' ' ' LEU . 65.2 m -54.1 -44.18 71.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 108.352 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' PHE . . . . . 0.506 ' CD2' ' HA ' ' A' ' 190' ' ' ILE . 18.0 m-30 -60.02 -38.38 82.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' ARG . . . . . 0.478 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 0.0 OUTLIER -106.1 27.68 8.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 191' ' ' ASP . 1.0 OUTLIER -113.98 -39.09 4.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.235 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.35 63.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 197' ' ' SER . . . . . 0.478 ' HB2' ' CG ' ' A' ' 158' ' ' GLN . 0.4 OUTLIER -148.64 164.54 34.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 198' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 197' ' ' SER . 0.0 OUTLIER -40.95 163.7 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 199' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 203' ' ' GLN . 18.2 Cg_endo -75.04 -32.34 5.41 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.801 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -63.86 -46.39 85.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 19.1 mm -69.51 -45.8 77.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -64.07 -42.4 96.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 199' ' ' PRO . 6.0 tp60 -64.17 -30.36 71.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . 0.513 HD21 ' CZ ' ' A' ' 221' ' ' TYR . 0.2 OUTLIER -70.66 -49.8 43.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.478 ' CG2' ' HB3' ' A' ' 194' ' ' ARG . 0.7 OUTLIER -63.86 -44.04 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.92 -33.8 76.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -92.54 5.59 50.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 208' ' ' ALA . . . . . 0.528 ' HA ' ' CZ ' ' A' ' 221' ' ' TYR . . . -60.42 160.47 17.97 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . 0.408 ' HD2' HD11 ' A' ' 212' ' ' LEU . 18.3 Cg_endo -75.01 147.24 33.6 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.65 8.28 14.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.015 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 3.8 t -92.06 -5.26 53.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.437 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 212' ' ' LEU . . . . . 0.514 ' O ' ' CG2' ' A' ' 213' ' ' THR . 2.5 pp -155.07 151.64 28.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 213' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 212' ' ' LEU . 1.6 p -161.22 49.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 214' ' ' THR . . . . . 0.405 ' C ' ' H ' ' A' ' 216' ' ' GLY . 33.4 p -114.59 156.91 44.08 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 215' ' ' PRO . . . . . 0.538 ' O ' ' CG1' ' A' ' 219' ' ' ILE . 18.4 Cg_endo -74.98 10.98 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.48 1.779 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 216' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 214' ' ' THR . . . -116.03 -51.07 0.41 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . 0.431 ' OE1' ' CB ' ' A' ' 212' ' ' LEU . 12.4 mt-10 -64.56 -48.7 74.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 218' ' ' ILE . . . . . 0.444 HD11 ' CD1' ' A' ' 212' ' ' LEU . 1.5 mp -54.09 -32.8 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 219' ' ' ILE . . . . . 0.538 ' CG1' ' O ' ' A' ' 215' ' ' PRO . 3.7 mm -62.2 -52.85 55.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.083 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -45.3 89.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.528 ' CZ ' ' HA ' ' A' ' 208' ' ' ALA . 2.3 t80 -56.09 -51.03 69.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 2.4 t -59.87 -51.61 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.474 ' CD1' HG21 ' A' ' 165' ' ' VAL . 91.9 mt -56.71 -35.76 68.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -65.98 -47.26 75.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . 0.469 ' CB ' HD22 ' A' ' 204' ' ' LEU . 0.6 OUTLIER -65.62 -32.58 74.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.333 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . 0.431 ' NE2' HD21 ' A' ' 223' ' ' LEU . 60.3 mt-30 -52.69 -56.26 16.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -48.36 129.48 15.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -133.42 97.87 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . -144.33 159.61 51.45 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 110.959 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.2 p -130.66 112.93 16.46 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.385 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 128.71 11.73 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.456 1.766 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tp -62.48 106.22 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.456 ' O ' ' CG1' ' A' ' 19' ' ' ILE . 10.6 tp10 -116.88 128.03 26.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -42.12 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.553 1.818 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -48.23 80.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.2 mt -68.6 -46.34 69.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.456 ' CG1' ' O ' ' A' ' 15' ' ' GLU . 46.5 mt -58.28 -38.44 68.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 m -61.3 -40.83 95.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.433 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -66.43 -48.49 69.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' A' ' 39' ' ' GLU . 3.5 tt -61.09 -43.65 98.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.82 -32.41 70.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.425 ' O ' ' CG2' ' A' ' 28' ' ' THR . 0.5 OUTLIER -62.3 -40.35 95.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.517 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -62.69 -38.26 89.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.474 HG11 ' CG2' ' A' ' 36' ' ' THR . 15.2 t -58.81 -46.53 90.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -64.73 -48.34 74.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.248 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.425 ' CG2' ' O ' ' A' ' 24' ' ' ASP . 52.5 p -61.38 -37.82 84.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.381 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 25' ' ' THR . 7.3 mmmt -82.57 -12.69 57.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.57 124.96 4.79 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.466 ' CD1' HG12 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -67.44 -21.98 65.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 0.73 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 mtp85 -89.32 0.36 56.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.69 161.17 45.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.98 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -11.04 21.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.487 1.782 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.53 -29.1 40.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.54 HG23 ' CE1' ' A' ' 140' ' ' PHE . 18.1 m -61.55 -49.14 77.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.554 ' HE2' ' CD1' ' A' ' 140' ' ' PHE . 0.1 OUTLIER -64.33 -34.41 78.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.953 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.44 -52.54 25.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.465 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 3.6 mt-10 -61.4 -45.62 93.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.343 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.47 ' CG1' ' SD ' ' A' ' 44' ' ' MET . 63.0 t -59.55 -47.67 90.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 45' ' ' SER . 9.7 mt-10 -63.25 -23.28 67.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.42 -55.49 20.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.338 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.557 ' CD1' ' CD2' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -72.84 -46.88 50.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.508 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 24.2 mtt -70.76 -10.71 60.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' GLU . 5.4 t -35.93 -34.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.4 OUTLIER -108.92 165.92 11.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.956 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 149.63 37.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.806 . . . . 0.0 111.029 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.489 ' CD1' ' CG2' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -146.55 -179.9 7.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.412 HD22 ' CB ' ' A' ' 121' ' ' ALA . 1.5 mm? -80.67 165.44 45.75 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -35.87 2.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.464 1.771 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.446 ' O ' ' OG1' ' A' ' 54' ' ' THR . 1.3 t-160 -67.96 -40.96 83.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.608 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 0.6 OUTLIER -64.88 -32.38 74.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.498 HG11 ' CH2' ' A' ' 69' ' ' TRP . 2.7 t -58.56 -46.72 89.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.467 ' CG2' ' HE2' ' A' ' 70' ' ' MET . 77.4 p -67.32 -42.7 83.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.402 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.482 ' ND2' ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -63.54 -40.17 96.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.557 ' CD2' ' CD1' ' A' ' 43' ' ' LEU . 7.3 tp -68.37 -51.51 43.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.521 ' HG2' ' CE2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -57.78 -44.09 86.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -55.04 -36.44 65.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.336 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.6 t -68.89 -33.76 60.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.415 1.072 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.9 mt -79.82 -43.95 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.457 HD22 ' CE2' ' A' ' 140' ' ' PHE . 0.1 OUTLIER -120.94 131.15 54.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.517 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -54.1 -166.94 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -24.16 13.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.53 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -69.0 -57.69 7.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.53 ' HD3' ' CB ' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -74.98 2.84 6.17 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.545 1.813 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.43 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 54.8 t80 -72.72 -46.4 53.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.91 -29.19 69.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.7 mp -63.55 -48.87 75.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.793 ' CH2' ' CE3' ' A' ' 73' ' ' TRP . 36.3 t90 -69.75 -39.22 76.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 107.981 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.467 ' HE2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -59.37 -45.03 92.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.36 -46.72 79.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.01 -28.57 67.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.793 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 16.8 t90 -71.6 -40.22 69.98 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.3 -48.1 87.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.4 t -68.11 -47.16 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.451 ' OE1' ' CB ' ' A' ' 138' ' ' GLN . 48.9 mm-40 -54.85 -44.46 73.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mt -59.76 -45.76 91.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -60.09 -34.2 73.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.73 -35.67 78.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.409 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.435 ' O ' ' CB ' ' A' ' 84' ' ' ALA . 2.2 t -71.06 -34.33 54.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.536 ' CD1' ' CG2' ' A' ' 101' ' ' THR . 18.6 mm -68.18 -47.95 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.77 -50.94 54.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.71 -40.67 76.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.535 ' HA ' ' CD2' ' A' ' 90' ' ' HIS . . . -62.66 -35.84 80.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.54 -38.45 65.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.375 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.59 -29.3 62.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -118.7 107.0 43.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 54.51 3.68 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.464 1.771 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -156.58 24.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.535 ' CD2' ' HA ' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -89.28 139.04 28.48 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.604 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -21.42 15.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.461 1.769 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.514 ' CB ' ' CG2' ' A' ' 101' ' ' THR . . . -63.05 -24.45 67.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 90' ' ' HIS . 19.2 p30 -93.84 154.88 17.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 138.21 89.14 0.21 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -132.14 -61.5 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.736 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -146.8 -128.08 1.86 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -83.05 0.25 45.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.764 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -95.51 -49.74 2.12 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.567 1.167 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 59.12 55.64 4.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 110.315 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 -122.48 138.64 54.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.536 ' CG2' ' CD1' ' A' ' 81' ' ' ILE . 18.9 m -70.36 164.73 23.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.399 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.426 ' CB ' ' HD2' ' A' ' 105' ' ' ARG . 6.7 m120 -142.36 120.93 12.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.88 -30.3 70.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.21 -44.78 82.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.426 ' HD2' ' CB ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -57.69 -47.32 82.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.411 HD22 ' CG1' ' A' ' 132' ' ' ILE . 97.2 mt -70.42 -26.73 63.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -54.91 -48.81 72.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 100.76 5.9 53.14 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.447 1.092 . . . . 0.0 110.97 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -89.04 -0.03 57.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.419 ' HB2' ' NH2' ' A' ' 105' ' ' ARG . . . -58.72 165.3 2.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.73 122.03 18.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.99 -17.7 44.72 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.43 ' SD ' ' CD1' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -68.62 -35.98 78.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 110.999 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -98.41 132.71 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.07 2.01 66.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 71.6 m-80 -155.5 101.67 2.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -61.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.791 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -53.89 -52.73 59.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.87 -33.87 75.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.418 ' NE2' ' HG3' ' A' ' 113' ' ' MET . 24.2 tt0 -66.04 -43.72 86.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.412 ' CB ' HD22 ' A' ' 49' ' ' LEU . . . -65.94 -31.64 72.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.69 -22.02 54.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.43 ' CD1' ' SD ' ' A' ' 113' ' ' MET . 2.0 tt -80.64 -38.0 29.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.407 HD21 ' CE ' ' A' ' 113' ' ' MET . 0.3 OUTLIER -85.63 176.25 8.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.445 ' NH1' ' O ' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -99.01 156.4 35.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.253 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.61 2.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.552 1.817 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 147.63 -38.88 1.05 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -31.97 72.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.3 mt -58.79 -48.34 81.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 22.7 t -59.33 -39.92 80.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.57 -47.08 87.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.411 ' CG1' HD22 ' A' ' 106' ' ' LEU . 21.1 mt -61.64 -38.31 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.469 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 24.2 m -68.4 -39.23 81.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.379 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.45 -48.14 65.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 83.8 p -66.3 -34.07 77.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.28 93.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.508 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -69.99 -36.88 75.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.451 ' CB ' ' OE1' ' A' ' 76' ' ' GLN . 3.6 mt-30 -67.49 -31.47 71.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.344 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -73.28 -34.96 66.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.554 ' CD1' ' HE2' ' A' ' 37' ' ' MET . 6.6 t80 -67.25 -55.16 15.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -59.1 -24.86 63.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -66.34 -42.93 87.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 25.6 t -70.63 -42.72 77.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -67.73 -21.18 65.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -33.14 59.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.12 107.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -173.06 163.25 4.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -117.96 141.98 30.14 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 158.37 42.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -103.91 151.99 22.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 147.65 82.39 0.04 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.571 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.4 Cg_endo -75.01 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.513 1.796 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' TRP . . . . . 0.573 ' CH2' HD13 ' A' ' 180' ' ' LEU . 29.6 p90 -100.98 -20.36 15.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 107.991 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.5 -33.15 70.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -83.14 -22.13 33.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.575 HG21 ' CE1' ' A' ' 167' ' ' PHE . 67.7 mt -76.0 120.88 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.602 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 5.8 m -130.88 143.64 50.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . 0.562 ' HG2' ' CD2' ' A' ' 167' ' ' PHE . 0.0 OUTLIER -85.84 120.62 27.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.249 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -115.53 166.76 12.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.25 18.87 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.802 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.59 -34.99 53.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -100.48 135.25 42.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.256 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.82 147.23 28.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.85 -51.68 66.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.449 ' CG2' HG22 ' A' ' 219' ' ' ILE . 0.5 OUTLIER -62.37 -43.2 97.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -58.22 -47.7 82.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.602 ' CE1' ' C ' ' A' ' 157' ' ' THR . 59.1 t80 -64.49 -42.13 96.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.412 ' HB1' ' CZ ' ' A' ' 193' ' ' PHE . . . -55.46 -39.72 70.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -61.75 -47.18 86.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 29.1 mmt85 -59.24 -41.19 88.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.568 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.5 OUTLIER -66.89 -46.74 73.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 13.0 mt -58.62 -43.34 87.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -61.46 -38.79 88.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -67.46 -51.2 54.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . . . . . . . . . 24.5 t -57.21 -39.19 65.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.439 ' OE1' ' NH2' ' A' ' 185' ' ' ARG . 0.0 OUTLIER -64.96 -56.22 14.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -50.59 -33.09 25.36 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 41.9 p -73.72 166.04 24.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -102.7 54.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.573 HD13 ' CH2' ' A' ' 153' ' ' TRP . 10.9 mt -69.02 160.08 80.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 163.86 34.59 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . 0.41 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.3 Cg_endo -75.04 76.73 3.33 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.4 OUTLIER 165.22 -30.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.403 ' C ' ' HD2' ' A' ' 187' ' ' PRO . . . -85.71 -11.26 54.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . 0.439 ' NH2' ' OE1' ' A' ' 176' ' ' GLU . 47.5 mtp180 -87.04 67.49 9.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.487 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 171.57 -55.8 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' PRO . . . . . 0.487 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -75.03 -30.38 7.18 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.768 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.13 -38.22 81.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . 0.43 HG22 ' CZ ' ' A' ' 193' ' ' PHE . 22.0 mt -68.11 -48.02 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' ILE . . . . . 0.53 ' CD1' ' C ' ' A' ' 213' ' ' THR . 55.7 mt -68.13 -34.94 69.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 187' ' ' PRO . 16.2 t0 -58.23 -43.51 87.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 21.4 m -59.9 -48.62 80.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 108.253 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 193' ' ' PHE . . . . . 0.43 ' CZ ' HG22 ' A' ' 189' ' ' ILE . 10.6 m-30 -53.69 -40.71 66.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -94.49 10.07 36.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -88.73 -44.08 10.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 196' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 197' ' ' SER . 4.7 ttmt -139.12 -90.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 197' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 196' ' ' LYS . 1.8 m 37.8 -156.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.024 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -96.2 169.91 8.31 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 199' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' A' ' 203' ' ' GLN . 18.4 Cg_endo -74.97 -36.07 2.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' ASP . . . . . 0.468 ' CG ' ' N ' ' A' ' 201' ' ' ILE . 3.4 p-10 -65.06 -50.12 67.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.468 ' N ' ' CG ' ' A' ' 200' ' ' ASP . 32.5 mm -68.42 -40.95 83.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -66.94 -40.14 87.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.326 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . 0.435 ' O ' ' NE2' ' A' ' 203' ' ' GLN . 36.3 tp60 -65.3 -31.71 72.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 225' ' ' ARG . 0.6 OUTLIER -70.26 -49.93 44.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.467 HG13 ' CG2' ' A' ' 222' ' ' VAL . 6.2 mt -64.34 -37.49 80.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 14.8 mtt-85 -63.57 -33.59 75.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -87.94 2.96 50.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 208' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 205' ' ' ILE . . . -60.01 155.07 46.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 155.15 43.1 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.71 26.34 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 3.3 t -111.27 -7.49 14.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.545 1.153 . . . . 0.0 110.454 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 212' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.22 167.0 23.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 213' ' ' THR . . . . . 0.53 ' C ' ' CD1' ' A' ' 190' ' ' ILE . 0.4 OUTLIER 176.76 43.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 214' ' ' THR . . . . . 0.43 ' C ' HD12 ' A' ' 190' ' ' ILE . 69.5 p -117.43 156.24 49.31 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.415 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 54.39 3.65 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.5 1.789 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -156.4 -58.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 221' ' ' TYR . 1.7 mp0 -74.98 -29.27 60.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 0.744 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 218' ' ' ILE . . . . . 0.511 ' CD1' ' HA ' ' A' ' 213' ' ' THR . 1.3 mp -66.1 -46.74 87.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 219' ' ' ILE . . . . . 0.449 HG22 ' CG2' ' A' ' 165' ' ' VAL . 4.1 mt -70.05 -50.56 46.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 220' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 221' ' ' TYR . 0.0 OUTLIER -55.53 -39.88 71.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.437 ' CB ' ' O ' ' A' ' 217' ' ' GLU . 8.4 t80 -63.93 -50.59 68.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . 0.467 ' CG2' HG13 ' A' ' 205' ' ' ILE . 12.2 t -60.51 -43.87 95.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 36.1 mt -62.4 -40.6 97.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -62.95 -49.99 72.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . 0.481 ' HB3' ' CD1' ' A' ' 204' ' ' LEU . 3.9 tpt180 -60.48 -39.88 89.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -52.62 -49.28 65.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.6 173.26 4.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.233 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 228' ' ' ILE . . . . . 0.439 ' O ' ' CB ' ' A' ' 229' ' ' ALA . 3.0 tt -89.06 172.91 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 229' ' ' ALA . . . . . 0.473 ' N ' ' CD ' ' A' ' 230' ' ' PRO . . . 167.68 -54.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 230' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 229' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 4.8 m95 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.2 m -102.64 142.79 25.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.384 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 145.68 31.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.499 ' CD1' ' CD1' ' A' ' 19' ' ' ILE . 1.0 OUTLIER -62.01 155.9 22.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.66 127.91 65.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -26.59 10.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.494 1.786 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 18' ' ' LEU . 9.7 pttt -57.42 -49.93 74.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' N ' ' CG ' ' A' ' 17' ' ' LYS . 27.9 mt -63.7 -37.09 86.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.499 ' CD1' ' CD1' ' A' ' 14' ' ' LEU . 18.1 mt -65.29 -37.08 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.401 ' O ' ' CG ' ' A' ' 24' ' ' ASP . 26.1 m -60.04 -37.64 80.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.372 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -48.3 74.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.474 HD23 ' CG ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER -66.5 -40.4 89.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.24 -33.88 77.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 20' ' ' THR . 94.2 m-20 -62.16 -42.71 99.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.498 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.2 m -60.98 -37.93 84.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.395 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.457 HG11 ' CG2' ' A' ' 36' ' ' THR . 63.5 t -62.05 -41.88 92.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -62.74 -48.35 79.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 p -70.37 -29.33 65.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 25' ' ' THR . 20.8 mmtt -85.67 -13.86 47.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 97.05 119.02 3.74 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.41 HD22 ' CZ ' ' A' ' 140' ' ' PHE . 0.1 OUTLIER -64.94 -27.96 69.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 0.738 . . . . 0.0 109.328 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.19 -0.25 57.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.01 169.15 15.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.974 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -30.96 6.61 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.472 ' CG2' ' CB ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -53.06 -22.81 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.56 HG22 ' CE1' ' A' ' 140' ' ' PHE . 50.3 m -65.54 -49.41 69.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 28.0 mmt -64.45 -35.69 81.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.23 -52.02 38.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.474 ' CG ' HD23 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -61.17 -47.43 86.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.438 ' CG1' ' SD ' ' A' ' 44' ' ' MET . 53.0 t -60.56 -44.7 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.252 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 45' ' ' SER . 34.6 mt-10 -67.34 -24.35 65.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.32 -55.08 31.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.478 ' CD1' ' CD2' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -72.87 -46.62 51.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.357 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.511 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 27.3 mtt -68.67 -11.25 59.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 41' ' ' GLU . 7.3 t -37.92 -31.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -108.82 165.83 11.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.983 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.86 34.56 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.31 172.73 14.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.91 165.18 56.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -31.48 6.09 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -41.29 82.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.616 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -63.76 -32.65 74.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.2 t -59.24 -44.93 93.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.475 ' CG2' ' HE1' ' A' ' 70' ' ' MET . 29.3 p -66.57 -46.64 75.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.417 ' ND2' ' C ' ' A' ' 55' ' ' ASN . 0.1 OUTLIER -63.47 -34.08 76.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.486 ' CD1' HG23 ' A' ' 19' ' ' ILE . 11.0 tp -71.82 -53.72 12.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.462 ' HE2' ' CE ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -57.33 -46.09 83.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 61' ' ' LEU . 30.4 ttt180 -56.91 -36.02 69.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.4 t -71.13 -35.58 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.6 mt -77.65 -43.87 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -124.75 137.95 54.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.457 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -48.57 178.97 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.488 1.118 . . . . 0.0 111.027 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -18.83 18.37 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.43 1.752 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.577 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -69.25 -60.21 4.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.577 ' HD3' ' CB ' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.98 -1.3 11.04 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.454 1.765 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.544 ' CZ ' ' SD ' ' A' ' 70' ' ' MET . 34.5 t80 -78.09 -42.01 33.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.26 90.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.476 ' CB ' HG22 ' A' ' 143' ' ' VAL . 6.0 mp -62.05 -37.34 84.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.667 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 16.0 t90 -67.97 -35.76 78.91 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.544 ' SD ' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -63.55 -44.26 94.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.85 -43.71 98.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.29 -31.34 64.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.667 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 20.4 t90 -65.9 -47.31 75.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 108.015 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.88 -44.01 92.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.3 t -68.02 -44.19 84.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 0.77 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -58.49 -46.23 87.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.447 HD22 ' CD1' ' A' ' 106' ' ' LEU . 2.7 mt -57.55 -47.04 83.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.465 ' HG3' ' CD2' ' A' ' 103' ' ' LEU . 42.7 mt-30 -58.66 -30.26 67.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.517 ' O ' ' CB ' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -65.66 -35.25 80.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.384 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.425 ' N ' HG23 ' A' ' 79' ' ' THR . 0.9 OUTLIER -71.14 -44.13 74.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.93 -49.27 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.4 ' O ' ' CG ' ' A' ' 86' ' ' ARG . . . -65.94 -33.75 76.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 79' ' ' THR . . . -67.61 -44.89 76.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.479 ' HB1' ' CB ' ' A' ' 90' ' ' HIS . . . -65.57 -51.05 62.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.428 ' CB ' ' HD2' ' A' ' 100' ' ' ARG . 1.2 t -62.29 -30.52 71.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.363 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 82' ' ' ALA . 0.9 OUTLIER -75.78 -39.38 57.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.297 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 87' ' ' ASP . 3.1 p30 -134.33 119.0 14.07 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 55.12 3.88 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -134.74 15.86 3.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.518 ' CB ' ' OD1' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -91.44 138.95 25.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.643 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -22.0 15.23 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.487 1.783 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.37 -13.11 59.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.518 ' OD1' ' CB ' ' A' ' 90' ' ' HIS . 1.1 p-10 -119.6 154.38 34.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -100.69 -85.2 1.85 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.465 1.103 . . . . 0.0 110.951 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -171.95 -50.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 110.332 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.43 174.1 1.0 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.8 0.2 31.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 0.793 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -111.11 -49.06 0.68 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.482 ' O ' ' C ' ' A' ' 100' ' ' ARG . 1.7 mm-40 -49.91 -48.58 51.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 99' ' ' GLU . 20.3 ttp180 -32.41 137.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.25 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.5 t -70.51 170.33 12.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.409 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -155.6 152.19 28.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.465 ' CD2' ' HG3' ' A' ' 78' ' ' GLN . 1.4 tp -55.82 -43.06 76.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -62.87 -43.08 99.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.434 ' NH1' ' O ' ' A' ' 99' ' ' GLU . 3.5 ttp180 -59.71 -46.81 87.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.333 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.447 ' CD1' HD22 ' A' ' 77' ' ' LEU . 31.0 mt -72.68 -15.99 61.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -78.5 -42.02 30.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 102.16 25.6 7.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.463 HD13 ' CG1' ' A' ' 114' ' ' VAL . 17.2 tp -98.99 5.3 47.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.32 157.01 14.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -56.48 124.47 18.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.99 2.28 71.07 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.542 1.151 . . . . 0.0 110.962 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.461 ' CG ' ' HG3' ' A' ' 120' ' ' GLN . 30.4 ttm -101.72 -9.47 20.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.764 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.463 ' CG1' HD13 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -92.08 123.16 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 86.45 3.05 84.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.482 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 12.2 t-20 -124.52 103.44 31.93 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -71.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -53.92 -47.21 71.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.01 -36.52 88.74 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.482 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 28.9 tt0 -65.49 -43.59 89.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 0.762 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.56 80.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.92 -17.72 58.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.414 ' HB3' ' CE ' ' A' ' 113' ' ' MET . 1.0 OUTLIER -83.42 -36.9 23.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.437 HD11 ' CG ' ' A' ' 120' ' ' GLN . 0.2 OUTLIER -87.76 132.94 33.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.41 157.17 3.62 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 109.11 2.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.1 -37.19 1.26 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -33.52 70.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.9 -44.04 94.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 41.6 t -59.8 -39.87 81.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.74 78.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 50.2 mt -67.32 -40.32 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.475 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 3.7 m -63.4 -49.12 75.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.429 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.33 -47.49 85.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 56.7 m -61.49 -34.02 74.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.976 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.49 -42.93 91.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.511 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -66.42 -35.23 79.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -36.57 81.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.428 1.08 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.37 -32.05 71.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 109.235 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.56 ' CE1' HG22 ' A' ' 36' ' ' THR . 22.0 t80 -64.41 -62.27 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -52.87 -25.29 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.56 -40.03 77.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.476 HG22 ' CB ' ' A' ' 68' ' ' LEU . 13.6 t -74.17 -41.07 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.46 -46.78 87.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -38.43 70.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 12.4 tp -79.96 105.96 11.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.244 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -66.7 123.8 21.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.4 123.33 88.16 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 87.1 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -72.3 141.52 48.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -50.27 139.25 20.74 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.432 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo -74.95 -42.15 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.45 1.763 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' TRP . . . . . 0.44 ' CH2' ' CD1' ' A' ' 180' ' ' LEU . 16.5 p90 -51.01 -29.09 11.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 108.0 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -56.75 -32.85 65.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.52 -20.76 39.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.57 HG21 ' CE2' ' A' ' 167' ' ' PHE . 12.1 mt -80.29 120.34 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.597 ' C ' ' CE2' ' A' ' 167' ' ' PHE . 20.7 m -131.76 125.19 31.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . 0.652 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 0.0 OUTLIER -62.83 129.71 41.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.314 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.418 ' O ' ' NE2' ' A' ' 158' ' ' GLN . . . -107.23 154.24 16.66 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 111.025 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -18.09 19.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 15.4 p -90.73 -20.03 22.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -104.48 135.39 45.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.328 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 35.7 t -57.58 133.35 55.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -61.4 -33.02 72.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.443 ' CG2' HD12 ' A' ' 223' ' ' LEU . 1.5 t -70.88 -52.96 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -56.28 -48.94 75.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.652 ' CZ ' ' N ' ' A' ' 158' ' ' GLN . 15.5 t80 -64.7 -33.71 76.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.432 ' O ' HG12 ' A' ' 172' ' ' ILE . . . -60.57 -50.24 74.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . 0.572 ' HA ' HG12 ' A' ' 172' ' ' ILE . 50.0 m-80 -52.5 -42.12 64.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -57.74 -37.6 73.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.423 HD22 ' CB ' ' A' ' 153' ' ' TRP . 0.3 OUTLIER -67.57 -32.66 73.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . 0.572 HG12 ' HA ' ' A' ' 169' ' ' ASN . 1.5 mm -68.2 -48.59 73.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -62.15 -36.63 82.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . 0.421 ' CB ' HD13 ' A' ' 156' ' ' ILE . . . -68.52 -52.48 31.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . 0.425 HG21 ' CG1' ' A' ' 189' ' ' ILE . 41.6 t -57.04 -45.73 84.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.91 -54.35 48.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -44.53 -34.62 3.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.115 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 3.5 p -77.46 166.06 23.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 110.013 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -103.07 56.47 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.44 ' CD1' ' CH2' ' A' ' 153' ' ' TRP . 14.8 mt -69.02 159.06 84.66 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 165.67 30.82 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.428 1.752 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.1 Cg_endo -75.05 80.42 2.45 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.5 OUTLIER 159.74 -27.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.527 1.142 . . . . 0.0 109.962 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -84.07 -12.73 54.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -87.9 70.53 9.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.497 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 171.54 -56.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' PRO . . . . . 0.497 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -74.96 -37.04 2.23 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 89.0 t -58.14 -41.14 79.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . 0.434 HG23 ' CD1' ' A' ' 172' ' ' ILE . 14.3 mt -63.92 -48.18 87.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' ILE . . . . . 0.469 ' CD1' ' C ' ' A' ' 213' ' ' THR . 47.7 mt -65.68 -37.35 79.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 195' ' ' GLN . 0.3 OUTLIER -61.69 -42.58 99.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 1.9 m -53.57 -47.78 69.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 108.306 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 193' ' ' PHE . . . . . 0.411 ' HB2' ' O ' ' A' ' 190' ' ' ILE . 17.1 m-30 -55.75 -28.07 54.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 194' ' ' ARG . . . . . 0.511 ' CD ' ' O ' ' A' ' 194' ' ' ARG . 1.1 ppt_? -120.77 30.34 6.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 191' ' ' ASP . 0.5 OUTLIER -115.63 -56.5 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 196' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 197' ' ' SER . 0.1 OUTLIER -118.03 -43.19 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 197' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 196' ' ' LYS . 0.9 OUTLIER -37.04 155.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 198' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 197' ' ' SER . 1.7 mp0 -41.99 165.06 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -33.61 4.47 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -59.54 -50.36 74.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 8.1 mm -70.2 -41.61 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' GLN . . . . . 0.404 ' OE1' ' C ' ' A' ' 194' ' ' ARG . 3.8 tt0 -61.65 -44.51 96.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -59.97 -30.98 69.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . 0.581 ' CD2' ' CE2' ' A' ' 221' ' ' TYR . 0.5 OUTLIER -67.7 -46.67 71.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.499 ' CG2' ' HB3' ' A' ' 194' ' ' ARG . 1.5 mp -65.86 -44.84 92.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -33.88 76.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.34 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -92.93 5.2 52.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 208' ' ' ALA . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 221' ' ' TYR . . . -67.37 158.53 81.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . 0.57 ' HD3' ' CE1' ' A' ' 221' ' ' TYR . 18.2 Cg_endo -75.01 154.06 42.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.5 6.74 22.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 211' ' ' THR . . . . . 0.482 ' O ' ' CG2' ' A' ' 211' ' ' THR . 1.0 OUTLIER -92.97 4.55 53.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 212' ' ' LEU . . . . . 0.47 HD13 ' CD1' ' A' ' 218' ' ' ILE . 1.7 pp -154.27 121.37 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 213' ' ' THR . . . . . 0.469 ' C ' ' CD1' ' A' ' 190' ' ' ILE . 1.2 p -140.78 35.84 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.353 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 214' ' ' THR . . . . . 0.445 ' N ' HD12 ' A' ' 190' ' ' ILE . 3.3 p -121.97 157.72 56.92 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.366 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 57.81 4.69 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -160.83 -52.59 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -74.67 -39.23 62.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 218' ' ' ILE . . . . . 0.47 ' CD1' HD13 ' A' ' 212' ' ' LEU . 15.5 mm -58.58 -37.28 64.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 219' ' ' ILE . . . . . . . . . . . . . 15.1 mt -71.94 -50.79 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 220' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 221' ' ' TYR . 0.0 OUTLIER -56.38 -33.32 65.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.581 ' CE2' ' CD2' ' A' ' 204' ' ' LEU . 1.3 t80 -74.76 -46.91 34.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 8.6 t -60.68 -51.27 75.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.443 HD12 ' CG2' ' A' ' 165' ' ' VAL . 67.4 mt -59.85 -36.03 76.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -71.48 -24.34 61.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . 0.471 ' CG ' HD23 ' A' ' 204' ' ' LEU . 2.1 ttm180 -92.32 -10.44 38.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . 0.422 ' NE2' HD23 ' A' ' 223' ' ' LEU . 38.4 mt-30 -67.4 -53.76 26.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? 172.61 -40.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 4.7 mt 73.36 -60.81 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 229' ' ' ALA . . . . . 0.503 ' CB ' ' HD3' ' A' ' 230' ' ' PRO . . . 172.29 -56.2 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.36 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 230' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 229' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.515 1.798 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.2 m0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 2.7 m -102.83 133.38 20.43 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 12' ' ' THR . 18.3 Cg_endo -74.98 145.9 32.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 tt -61.91 98.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.17 138.59 39.44 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -41.64 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 111.025 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 27.7 pttt -64.43 -47.23 79.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.408 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 15.4 mt -59.16 -37.05 76.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.451 HG21 ' CD1' ' A' ' 56' ' ' LEU . 4.5 mt -65.87 -37.26 79.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.5 m -61.34 -40.6 94.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.415 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -61.34 -48.55 80.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.465 ' CD2' ' HG2' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -66.41 -36.52 83.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.96 76.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.02 -45.47 85.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.453 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.7 m -59.04 -39.24 81.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.1 t -59.01 -45.79 92.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -66.75 -48.63 68.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.0 p -68.35 -18.81 64.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.431 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 25' ' ' THR . 25.9 mmtt -95.18 -14.55 24.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.51 126.49 4.66 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -67.83 -40.01 83.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -88.33 2.52 52.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.349 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 1.4 t -93.47 155.54 40.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.036 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -74.94 102.83 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.497 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 0.2 OUTLIER 164.39 -30.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.6 m -59.2 -48.28 82.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.434 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.93 -36.91 85.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 111.057 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.6 -52.2 41.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.465 ' HG2' ' CD2' ' A' ' 22' ' ' LEU . 2.5 mt-10 -60.17 -46.31 90.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 44' ' ' MET . 55.5 t -62.77 -41.09 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.462 ' HG3' ' CD2' ' A' ' 137' ' ' LEU . 12.5 mt-10 -68.26 -25.09 64.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.01 -54.23 33.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.472 ' CD1' HD22 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -72.14 -46.0 58.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.484 ' HB3' ' CG2' ' A' ' 133' ' ' THR . 0.8 OUTLIER -71.38 -10.86 60.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 41' ' ' GLU . 51.4 p -37.16 -32.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' MET . 1.3 p -106.25 165.42 13.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.994 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 118.99 5.47 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.493 ' CD1' ' CG2' ' A' ' 53' ' ' VAL . 0.4 OUTLIER -108.13 -176.75 3.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.86 164.37 34.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.411 ' O ' ' HB ' ' A' ' 53' ' ' VAL . 18.4 Cg_endo -74.95 -41.89 0.6 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.412 ' O ' ' OG1' ' A' ' 54' ' ' THR . 1.8 p80 -68.16 -40.93 82.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.583 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.9 -34.61 78.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.576 HG12 ' CH2' ' A' ' 69' ' ' TRP . 4.9 t -54.88 -46.14 75.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.457 ' HB ' ' CE ' ' A' ' 70' ' ' MET . 27.1 p -66.52 -39.88 88.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -65.19 -40.23 93.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.472 HD22 ' CD1' ' A' ' 43' ' ' LEU . 12.2 tp -69.84 -52.11 27.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.45 ' HE3' ' CE ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -56.84 -44.51 82.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 111.005 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' A' ' 61' ' ' LEU . 50.7 ttt85 -56.4 -36.63 69.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.152 . . . . 0.0 110.304 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.2 t -75.49 -34.88 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.8 mt -73.43 -44.17 54.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.561 HD22 ' CE1' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -122.58 136.31 54.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.433 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -50.0 -176.15 0.02 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -19.88 17.56 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.457 1.767 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.57 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -71.01 -60.22 2.98 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.57 ' HD3' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.98 -0.25 9.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.557 ' CZ ' ' SD ' ' A' ' 70' ' ' MET . 3.1 t80 -77.5 -42.82 34.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.83 -29.66 70.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.419 ' HB3' ' CG2' ' A' ' 143' ' ' VAL . 7.8 mp -67.51 -41.39 84.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.727 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 22.9 t90 -68.15 -38.78 82.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.031 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.557 ' SD ' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -60.65 -43.74 97.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -65.63 -43.38 89.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.48 -30.66 67.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.727 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 11.9 t90 -68.14 -40.62 82.38 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.85 -45.7 95.35 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.2 t -68.0 -46.89 80.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 0.744 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -56.44 -46.29 80.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.318 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.407 ' CD2' ' CD1' ' A' ' 106' ' ' LEU . 2.7 mt -61.78 -38.67 88.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.463 ' HG3' ' CD2' ' A' ' 103' ' ' LEU . 25.1 mt-30 -67.85 -29.9 69.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.478 ' O ' ' CB ' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -65.72 -35.55 81.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.435 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.1 t -71.57 -50.96 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.469 HG13 ' CG2' ' A' ' 101' ' ' THR . 0.9 OUTLIER -59.41 -49.42 83.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.18 -43.8 97.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 79' ' ' THR . . . -56.66 -47.32 80.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.452 ' CB ' ' HB2' ' A' ' 90' ' ' HIS . . . -65.95 -41.42 91.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.2 m -59.77 -36.67 77.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -74.57 -33.09 62.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 110.261 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.446 ' HB2' ' CD ' ' A' ' 89' ' ' ARG . 0.6 OUTLIER -135.01 114.93 11.9 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 55.49 3.92 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.787 . . . . 0.0 111.023 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.446 ' CD ' ' HB2' ' A' ' 87' ' ' ASP . 10.7 ptt85 -138.49 16.15 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.241 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.452 ' HB2' ' CB ' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -92.07 139.67 24.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.579 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -19.64 17.72 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.464 1.771 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.461 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -59.37 -26.83 65.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 90' ' ' HIS . 29.6 p30 -90.86 154.64 19.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 93' ' ' ASN . . . -58.17 -154.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -141.19 12.64 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 110.332 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.428 ' C ' ' OE1' ' A' ' 99' ' ' GLU . . . -79.91 -159.96 19.74 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 97' ' ' ARG . 6.0 ttm105 -96.47 0.28 50.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 0.801 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -172.99 66.3 0.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 100' ' ' ARG . 2.7 pm0 -82.87 -87.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 99' ' ' GLU . 2.4 tpp85 83.64 109.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.469 ' CG2' HG13 ' A' ' 81' ' ' ILE . 1.8 t -72.61 170.14 15.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.396 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -157.31 154.43 29.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.463 ' CD2' ' HG3' ' A' ' 78' ' ' GLN . 2.4 mp -63.66 -34.42 77.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.112 . . . . 0.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.43 -38.79 92.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -61.19 -47.04 87.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.407 ' CD1' ' CD2' ' A' ' 77' ' ' LEU . 31.5 mt -70.61 -31.72 68.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.94 -65.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.2 -6.44 5.68 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.92 5.21 22.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.421 ' CB ' ' SD ' ' A' ' 113' ' ' MET . . . -59.89 163.87 4.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -70.64 133.32 46.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.157 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 79.93 -3.56 69.83 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.47 ' HE1' ' CD2' ' A' ' 124' ' ' LEU . 90.1 mtp -103.02 -24.72 13.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 0.758 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 1.5 t -80.2 124.71 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.45 -1.11 68.92 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -137.18 98.69 10.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.422 0.719 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.4 ' O ' ' HG2' ' A' ' 120' ' ' GLN . 18.6 Cg_endo -74.95 -46.34 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.487 1.783 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -76.99 -28.79 55.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -75.97 -42.8 23.94 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.482 1.113 . . . . 0.0 111.024 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 121' ' ' ALA . 18.5 pt20 -66.07 -40.98 91.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 0.72 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.429 ' N ' ' HG3' ' A' ' 120' ' ' GLN . . . -61.18 -41.01 96.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.23 -14.91 59.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.366 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.436 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -82.4 -35.42 27.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.59 ' O ' ' CG ' ' A' ' 125' ' ' ARG . 5.0 mt -75.5 -16.89 60.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.59 ' CG ' ' O ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER 81.44 158.16 0.12 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.434 ' N ' ' HD3' ' A' ' 125' ' ' ARG . 18.3 Cg_endo -74.99 107.78 2.57 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 142.76 -37.41 1.53 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.461 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 4.5 mt-10 -65.78 -38.79 89.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.741 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.84 -40.35 94.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.8 t -59.29 -39.67 79.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.68 -39.74 81.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.251 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 28.6 mt -69.07 -38.59 78.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.484 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 4.5 m -65.52 -48.4 72.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.375 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.76 -45.73 91.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.0 m -64.24 -35.88 82.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.13 85.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.462 ' CD2' ' HG3' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -68.14 -33.03 73.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -71.68 -43.32 66.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.86 -33.04 73.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.561 ' CE1' HD22 ' A' ' 61' ' ' LEU . 6.8 t80 -66.49 -58.52 5.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -53.46 -25.14 15.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.71 -42.16 70.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.419 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 3.3 t -67.82 -42.87 86.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -65.55 -47.24 76.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.31 -40.91 65.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.15 179.32 7.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.03 168.34 12.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -114.32 113.5 45.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.67 11.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.792 . . . . 0.0 111.059 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -103.77 126.5 50.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.52 105.43 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.467 1.105 . . . . 0.0 111.062 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.553 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.2 Cg_endo -74.96 -45.73 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' TRP . . . . . 0.553 ' CE3' ' HD2' ' A' ' 152' ' ' PRO . 44.9 p90 -58.12 -24.42 58.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 107.961 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.15 -32.69 74.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.73 -19.88 47.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.467 HD13 ' CB ' ' A' ' 174' ' ' ALA . 8.3 mt -87.02 120.75 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.6 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 3.3 p -130.99 132.04 44.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.383 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . 0.648 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 48.6 tp60 -64.69 130.13 42.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -125.17 162.82 19.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -27.32 10.09 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.794 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 4.3 t -69.79 -27.77 65.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -107.67 135.59 48.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.445 ' CB ' ' HB2' ' A' ' 166' ' ' ASP . 0.1 OUTLIER -57.47 142.65 43.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.933 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -56.0 -52.15 65.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.416 ' O ' ' ND2' ' A' ' 169' ' ' ASN . 0.6 OUTLIER -67.43 -38.22 80.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.445 ' HB2' ' CB ' ' A' ' 163' ' ' SER . 0.7 OUTLIER -60.67 -48.36 82.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.648 ' CZ ' ' N ' ' A' ' 158' ' ' GLN . 60.1 t80 -65.96 -39.88 90.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 193' ' ' PHE . . . -56.51 -39.11 72.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 165' ' ' VAL . 41.2 m-80 -62.15 -49.84 74.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -58.64 -37.84 76.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.45 HD11 ' CE2' ' A' ' 167' ' ' PHE . 3.7 tt -70.12 -45.19 67.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 17.2 mt -60.29 -41.02 85.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -63.12 -36.81 84.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . 0.467 ' CB ' HD13 ' A' ' 156' ' ' ILE . . . -68.9 -52.26 31.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . 0.417 HG22 ' CD2' ' A' ' 171' ' ' LEU . 46.3 t -57.23 -48.06 83.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -53.66 -38.51 64.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -99.84 32.42 7.27 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 15.7 p -119.78 166.14 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 0.788 . . . . 0.0 109.992 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -89.38 83.27 6.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.516 ' CD1' ' CZ3' ' A' ' 153' ' ' TRP . 15.8 mt -128.2 158.88 69.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 160.93 39.51 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.547 1.814 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . 0.427 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.4 Cg_endo -74.95 78.05 2.97 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.473 1.775 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 1.0 OUTLIER 164.96 -33.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.43 ' C ' ' HD2' ' A' ' 187' ' ' PRO . . . -78.65 -10.63 59.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' ' 185' ' ' ARG . 30.0 mtm105 -83.19 69.12 9.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.507 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 175.2 -56.98 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' PRO . . . . . 0.507 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.4 Cg_endo -74.96 -26.5 10.93 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 79.6 t -69.62 -37.59 74.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 7.7 mt -68.1 -47.28 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' ILE . . . . . 0.506 ' CD1' ' C ' ' A' ' 213' ' ' THR . 74.9 mt -66.3 -35.25 74.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -59.6 -37.63 79.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 17.6 m -64.94 -46.26 82.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 108.305 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 193' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 168' ' ' ALA . 11.6 m-30 -54.02 -38.42 65.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 194' ' ' ARG . . . . . 0.446 ' CA ' ' OE1' ' A' ' 202' ' ' GLN . 9.4 ptt180 -95.83 7.03 47.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -86.19 -40.94 15.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.265 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 196' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 197' ' ' SER . 5.4 mtpp -139.84 -89.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 197' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 196' ' ' LYS . 2.0 m 38.7 -158.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 198' ' ' GLN . . . . . 0.456 ' O ' ' CB ' ' A' ' 202' ' ' GLN . 2.6 mp0 -94.04 171.5 6.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -38.55 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.522 1.801 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -64.4 -50.26 68.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 33.1 mm -68.38 -35.7 71.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 198' ' ' GLN . 0.7 OUTLIER -70.07 -42.87 72.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -62.87 -32.05 73.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . 0.476 HD22 ' CE2' ' A' ' 221' ' ' TYR . 0.4 OUTLIER -70.53 -49.35 49.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.438 ' CG2' ' HB3' ' A' ' 194' ' ' ARG . 3.5 mt -63.02 -39.07 83.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.98 -33.88 76.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -89.22 2.88 53.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 208' ' ' ALA . . . . . . . . . . . . . . . -68.11 154.78 93.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 151.0 38.77 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.77 15.29 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.24 -8.66 38.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.16 . . . . 0.0 110.417 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 212' ' ' LEU . . . . . 0.507 ' O ' ' CG2' ' A' ' 213' ' ' THR . 0.2 OUTLIER -139.08 148.74 43.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 213' ' ' THR . . . . . 0.507 ' CG2' ' O ' ' A' ' 212' ' ' LEU . 1.3 p -161.54 46.95 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.378 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 214' ' ' THR . . . . . 0.566 ' CG2' ' HD2' ' A' ' 215' ' ' PRO . 1.3 m -122.55 150.83 58.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.4 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 215' ' ' PRO . . . . . 0.566 ' HD2' ' CG2' ' A' ' 214' ' ' THR . 18.0 Cg_endo -74.99 52.65 3.11 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.784 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -150.02 -60.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -75.72 -34.03 60.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 218' ' ' ILE . . . . . 0.466 HD12 ' CD1' ' A' ' 212' ' ' LEU . 1.2 mp -59.51 -46.62 92.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 219' ' ' ILE . . . . . . . . . . . . . 2.6 mt -72.34 -43.44 64.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -32.81 69.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.476 ' CE2' HD22 ' A' ' 204' ' ' LEU . 3.5 t80 -74.43 -50.64 17.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . 0.488 ' CG1' ' OE1' ' A' ' 226' ' ' GLN . 24.1 t -60.36 -40.93 85.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 31.2 mt -68.45 -43.33 77.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -64.58 -21.93 66.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . 0.466 ' HG3' ' CD2' ' A' ' 204' ' ' LEU . 0.0 OUTLIER -83.22 -44.94 14.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.341 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . 0.488 ' OE1' ' CG1' ' A' ' 222' ' ' VAL . 6.3 mt-30 -56.13 -43.34 78.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.45 110.74 6.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 3.1 mp -81.62 -63.48 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . -49.44 155.35 1.32 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 110.996 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.6 m95 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 2.6 m -105.39 140.97 21.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 12' ' ' THR . 18.4 Cg_endo -74.95 145.39 31.57 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.34 131.55 49.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.411 ' HG3' ' CG ' ' A' ' 18' ' ' LEU . 0.4 OUTLIER -84.67 118.31 70.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 20' ' ' THR . 18.4 Cg_endo -75.02 -25.22 12.03 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 62.4 pttt -57.66 -45.96 84.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.411 ' CG ' ' HG3' ' A' ' 15' ' ' GLU . 16.1 mt -63.16 -47.93 80.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.523 ' CG2' ' CD1' ' A' ' 56' ' ' LEU . 10.3 mt -63.57 -36.83 77.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 16' ' ' PRO . 35.5 m -60.21 -37.86 81.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 110.37 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -64.25 -48.57 75.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.436 ' CD2' ' HG3' ' A' ' 39' ' ' GLU . 1.8 mt -66.03 -40.02 90.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.355 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.476 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -65.72 -33.11 75.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -37.74 85.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -67.07 -37.37 83.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.425 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 30' ' ' GLY . 91.5 t -58.01 -46.43 87.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -48.87 79.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 64.8 p -65.91 -32.6 74.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.435 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.448 ' CB ' HG21 ' A' ' 35' ' ' ILE . 10.4 mmtt -84.84 -13.36 51.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 89.21 123.95 2.37 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.132 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -31.22 71.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.763 . . . . 0.0 109.329 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -93.37 2.16 56.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.73 161.25 25.64 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 35' ' ' ILE . 18.1 Cg_endo -75.01 106.41 2.27 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.498 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 0.2 OUTLIER 163.94 -29.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.424 HG23 ' CE1' ' A' ' 140' ' ' PHE . 81.4 m -58.59 -48.77 79.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.375 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -33.22 75.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.27 -52.22 24.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.436 ' HG3' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -61.13 -47.16 87.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.512 ' CG1' ' SD ' ' A' ' 44' ' ' MET . 64.7 t -59.81 -46.75 93.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.468 ' HG3' ' CD2' ' A' ' 137' ' ' LEU . 33.3 mt-10 -59.74 -24.27 63.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.41 -55.78 12.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.543 ' CD1' ' CD2' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -71.7 -43.64 65.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.515 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 29.2 mtt -74.25 -10.82 59.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 44' ' ' MET . 11.6 t -35.75 -41.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.932 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p -101.29 165.16 14.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.0 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 149.62 36.73 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.467 HD13 ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -148.77 174.04 12.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 117' ' ' PRO . 16.0 mt -80.19 161.56 64.86 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -26.36 11.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.52 1.8 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -67.63 -50.28 58.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.604 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -63.65 -32.33 73.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.494 HG13 ' CH2' ' A' ' 69' ' ' TRP . 6.9 t -53.95 -46.38 64.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.9 p -67.03 -37.35 83.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.388 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -63.84 -44.01 94.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.543 ' CD2' ' CD1' ' A' ' 43' ' ' LEU . 11.6 tp -69.97 -50.83 37.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.573 ' HG3' ' CZ2' ' A' ' 69' ' ' TRP . 19.3 mmt -57.46 -31.04 65.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.045 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.428 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 0.3 OUTLIER -69.23 -36.5 77.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.0 t -71.19 -41.44 75.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.476 HG12 ' CB ' ' A' ' 23' ' ' ALA . 32.6 mt -76.0 -44.13 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.509 ' CD1' ' O ' ' A' ' 57' ' ' MET . 0.1 OUTLIER -113.78 128.79 56.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.488 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -60.86 -167.3 0.36 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.62 14.63 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.451 1.764 . . . . 0.0 110.959 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.541 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -71.46 -58.13 3.97 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.541 ' HD3' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.97 5.14 4.14 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.518 ' CZ ' ' HE3' ' A' ' 70' ' ' MET . 1.2 t80 -76.55 -47.68 21.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.3 -29.83 70.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.0 mp -69.0 -45.37 70.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.734 ' CZ3' ' CE3' ' A' ' 73' ' ' TRP . 35.1 t90 -71.0 -35.96 72.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 107.995 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.518 ' HE3' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -67.9 -35.05 77.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -71.06 -46.74 61.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.41 -44.92 73.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.734 ' CE3' ' CZ3' ' A' ' 69' ' ' TRP . 19.0 t90 -52.37 -42.58 64.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 108.015 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.18 -41.17 98.09 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.6 t -68.04 -46.88 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -61.81 -37.32 83.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.46 ' CD2' HD11 ' A' ' 106' ' ' LEU . 3.1 mt -70.84 -37.24 73.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -69.59 -41.22 76.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 110.275 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -33.9 76.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.61 -45.97 93.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.463 HG13 ' CG2' ' A' ' 101' ' ' THR . 0.4 OUTLIER -69.6 -47.87 68.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.6 -48.81 76.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.49 -47.45 79.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 87' ' ' ASP . . . -59.46 -48.62 80.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 m -58.71 -30.29 67.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.5 ttt85 -75.58 -36.48 60.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 84' ' ' ALA . 7.1 t0 -135.87 120.15 13.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 55.49 3.95 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.27 13.35 3.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.448 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -90.2 137.52 27.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.594 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -75.0 -21.79 15.48 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.529 1.805 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.432 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -62.29 -23.35 66.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 90' ' ' HIS . 16.5 p30 -97.49 154.38 17.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 132.2 112.52 1.41 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -147.67 -57.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 110.313 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -152.57 -124.91 1.08 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.6 ttm-85 -78.61 -0.18 28.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -100.0 -54.46 1.04 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 57.13 46.19 19.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.77 . . . . 0.0 110.29 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.33 123.82 41.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.463 ' CG2' HG13 ' A' ' 81' ' ' ILE . 6.3 t -70.89 163.57 27.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.423 ' N ' ' HG1' ' A' ' 101' ' ' THR . 9.2 m120 -144.2 145.83 32.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.454 ' CD1' HD11 ' A' ' 81' ' ' ILE . 4.8 tp -65.91 -46.7 77.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.489 ' HA ' ' CG ' ' A' ' 107' ' ' LYS . 0.8 OUTLIER -53.94 -40.05 66.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.8 mmt-85 -53.71 -36.01 61.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.165 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.46 HD11 ' CD2' ' A' ' 77' ' ' LEU . 13.6 mt -88.25 -24.6 23.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.489 ' CG ' ' HA ' ' A' ' 104' ' ' ASP . 22.5 mmtp -51.03 -42.68 60.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 115.09 22.48 4.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.9 tp -108.51 7.0 26.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.36 155.33 9.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -55.28 121.84 9.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 116' ' ' ASN . . . 87.25 -18.52 36.42 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.49 ' CG ' ' HG3' ' A' ' 120' ' ' GLN . 1.6 ttt -62.62 -32.95 74.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 0.762 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.86 123.07 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 94.43 3.35 63.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 112' ' ' GLY . 9.2 p-10 176.89 86.96 0.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.485 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.0 -36.46 2.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -55.7 -56.75 16.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.14 -31.73 66.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.493 ' OE1' ' CD2' ' A' ' 123' ' ' LEU . 0.2 OUTLIER -66.44 -41.6 88.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 0.0 110.296 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.25 86.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.68 -13.05 60.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.564 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -76.63 -37.46 56.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.45 ' N ' ' CD2' ' A' ' 123' ' ' LEU . 2.0 pp -112.77 147.9 35.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.432 ' HB2' ' HD2' ' A' ' 126' ' ' PRO . 0.0 OUTLIER -76.15 172.44 9.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.341 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.432 ' HD2' ' HB2' ' A' ' 125' ' ' ARG . 18.2 Cg_endo -75.03 108.79 2.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.79 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -179.66 -54.6 0.08 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.432 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 15.6 mt-10 -65.72 -31.23 72.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.475 ' CD2' HD22 ' A' ' 49' ' ' LEU . 3.5 mt -65.6 -43.3 90.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.62 -39.86 77.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.37 80.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.417 ' O ' ' CB ' ' A' ' 136' ' ' ALA . 13.5 mt -69.97 -37.53 72.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 1.2 m -66.24 -49.57 66.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.375 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.55 -48.39 79.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 68.2 p -64.48 -33.66 76.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 132' ' ' ILE . . . -67.86 -43.62 79.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.515 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -61.22 -37.94 84.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.91 -33.39 74.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.64 -33.62 75.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.443 ' CE2' HG23 ' A' ' 60' ' ' ILE . 1.1 t80 -73.79 -53.5 10.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.476 ' O ' ' HG2' ' A' ' 141' ' ' ARG . 0.0 OUTLIER -56.53 -27.53 57.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.334 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.466 ' N ' ' HD3' ' A' ' 141' ' ' ARG . 5.1 tp10 -74.71 -39.59 61.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.9 t -73.21 -43.51 57.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -57.93 -42.94 85.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.79 -22.21 58.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 18.8 tp -107.64 89.72 3.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -135.16 -62.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.02 116.19 61.94 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 57.1 4.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.27 143.76 53.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -76.75 146.87 33.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.554 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.5 Cg_endo -74.98 -39.97 1.05 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' TRP . . . . . 0.554 ' CE3' ' HD2' ' A' ' 152' ' ' PRO . 38.7 p90 -51.16 -29.3 13.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 108.02 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -60.99 -33.22 72.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 152' ' ' PRO . 0.8 OUTLIER -81.59 -22.16 37.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.544 HG21 ' CE1' ' A' ' 167' ' ' PHE . 21.9 mt -73.15 120.74 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.2 p -130.82 133.57 46.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.35 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . 0.568 ' HB3' ' CD2' ' A' ' 167' ' ' PHE . 0.0 OUTLIER -100.46 130.05 46.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.337 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -95.79 176.96 33.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -17.79 19.24 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 84.1 p -107.75 18.71 21.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -116.81 135.27 53.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.88 131.22 50.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -70.2 -43.35 70.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.461 ' CG2' HD13 ' A' ' 223' ' ' LEU . 2.3 t -67.17 -47.94 80.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -56.31 -47.49 78.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' A' ' 158' ' ' GLN . 80.7 t80 -64.99 -33.57 76.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.49 ' O ' ' CD1' ' A' ' 172' ' ' ILE . . . -63.45 -32.86 74.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -68.7 -48.74 63.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 19.2 mtp85 -61.92 -37.15 83.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.477 HD11 ' CE2' ' A' ' 167' ' ' PHE . 1.0 OUTLIER -70.86 -49.73 42.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 168' ' ' ALA . 17.9 mt -57.76 -42.09 81.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -35.18 79.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . 0.464 ' CB ' HD12 ' A' ' 156' ' ' ILE . . . -68.27 -52.03 38.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . . . . . . . . . 39.1 t -58.33 -42.78 84.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -61.35 -56.12 24.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -59.25 -23.33 57.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.153 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.8 p -74.95 165.95 24.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -103.03 56.52 0.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.51 HD11 ' CZ3' ' A' ' 153' ' ' TRP . 14.3 mt -78.89 162.3 65.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 164.08 34.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.778 . . . . 0.0 111.057 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.3 Cg_endo -74.99 80.47 2.42 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 111.034 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.7 OUTLIER 159.9 -27.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.034 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.411 ' O ' ' CG2' ' A' ' 188' ' ' VAL . . . -84.11 -11.71 56.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 186' ' ' ALA . 7.9 mtm180 -86.69 70.98 10.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.51 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 167.97 -56.62 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' PRO . . . . . 0.51 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -75.02 -30.62 6.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.411 ' CG2' ' O ' ' A' ' 184' ' ' ALA . 79.5 t -64.9 -43.97 96.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 29.0 mt -63.19 -47.64 91.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' ILE . . . . . 0.45 ' CD1' ' C ' ' A' ' 213' ' ' THR . 74.9 mt -66.11 -45.77 89.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -58.74 -36.97 75.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 7.2 m -56.78 -48.72 77.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 108.313 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 193' ' ' PHE . . . . . 0.4 ' N ' ' CD1' ' A' ' 193' ' ' PHE . 11.0 m-30 -54.28 -35.71 62.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 194' ' ' ARG . . . . . 0.455 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 0.0 OUTLIER -105.75 20.57 18.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.288 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -102.68 -46.3 4.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.36 63.76 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.163 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 197' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.68 -177.8 4.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.969 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -52.3 157.82 2.19 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -35.71 2.97 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -65.55 -47.23 76.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 11.6 mm -69.38 -38.87 78.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.05 -45.96 69.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -60.42 -31.11 70.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . 0.514 HD22 ' CZ ' ' A' ' 221' ' ' TYR . 0.4 OUTLIER -70.3 -47.92 58.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.455 ' CG2' ' HB3' ' A' ' 194' ' ' ARG . 0.7 OUTLIER -63.59 -40.16 88.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -33.99 77.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -91.33 5.08 50.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 208' ' ' ALA . . . . . 0.486 ' HA ' ' CE2' ' A' ' 221' ' ' TYR . . . -61.71 154.92 63.94 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 155.17 42.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.53 1.805 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.94 17.31 5.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.05 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 9.2 t -102.59 -6.87 22.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 212' ' ' LEU . . . . . 0.503 ' O ' ' CG2' ' A' ' 213' ' ' THR . 0.5 OUTLIER -145.49 143.46 30.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 213' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' A' ' 212' ' ' LEU . 1.4 p -161.19 45.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.354 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 31.4 p -121.83 157.74 56.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 55.56 4.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.494 1.787 . . . . 0.0 111.005 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -158.79 -56.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.562 1.164 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -74.2 -31.66 62.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 0.0 110.313 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 218' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 218' ' ' ILE . 1.4 mp -63.51 -39.42 85.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 219' ' ' ILE . . . . . . . . . . . . . 6.7 mt -73.41 -49.4 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.65 -42.75 75.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.514 ' CZ ' HD22 ' A' ' 204' ' ' LEU . 2.5 t80 -64.96 -45.21 86.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 3.2 t -60.49 -47.83 91.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.461 HD13 ' CG2' ' A' ' 165' ' ' VAL . 70.7 mt -62.67 -38.03 88.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -63.38 -43.27 98.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . 0.47 ' HB3' ' CD1' ' A' ' 204' ' ' LEU . 0.0 OUTLIER -69.74 -40.32 76.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -51.97 -53.0 46.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 49.7 tttt -53.57 131.27 38.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 9.8 tt -174.08 140.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.249 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . -146.63 153.51 47.11 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.368 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.453 1.765 . . . . 0.0 111.001 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.1 t90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -132.78 132.09 22.38 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 110.408 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 131.32 14.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.63 99.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.354 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 1.6 tp10 -110.36 132.5 21.48 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.402 ' O ' ' OG1' ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.02 -30.8 6.75 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.501 1.79 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -46.51 63.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.6 mt -69.39 -46.82 65.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.501 HG22 ' CD1' ' A' ' 56' ' ' LEU . 37.7 mt -58.14 -36.75 58.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 16' ' ' PRO . 15.1 m -67.27 -39.4 86.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -67.26 -49.28 65.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -42.36 87.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.432 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -63.9 -31.83 73.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.43 -47.35 86.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 29' ' ' LYS . 1.2 m -61.99 -37.31 84.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.47 HG11 ' CG2' ' A' ' 36' ' ' THR . 2.6 t -58.27 -45.2 89.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -67.42 -48.99 65.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.1 p -68.23 -19.31 64.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.425 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 33' ' ' SER . 18.5 mmtt -95.23 -14.56 23.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.01 131.6 0.27 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.452 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -67.58 -17.72 64.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 0.734 . . . . 0.0 109.328 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.83 2.85 50.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 8.0 t -101.92 145.82 31.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.004 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 54.7 3.7 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -141.18 -41.3 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.47 ' CG2' HG11 ' A' ' 26' ' ' VAL . 2.6 m -57.11 -42.55 81.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.45 -44.36 97.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.75 -43.88 74.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.73 -47.56 85.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 110.334 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.455 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 42.9 t -61.36 -45.92 97.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -63.75 -23.94 67.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.37 -55.35 21.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.47 ' CD1' HD21 ' A' ' 56' ' ' LEU . 1.2 pp -72.7 -44.53 61.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.513 ' SD ' ' CG2' ' A' ' 133' ' ' THR . 0.6 OUTLIER -72.73 -9.08 58.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 111.018 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 41' ' ' GLU . 8.6 t -37.82 -31.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 44' ' ' MET . 1.3 p -102.12 165.24 14.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.047 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 140.2 25.04 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.537 ' CD1' ' CG2' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -138.62 174.54 10.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.468 ' N ' ' OD2' ' A' ' 52' ' ' ASP . 11.6 mt -83.42 161.18 57.61 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -31.18 6.4 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -66.67 -52.09 48.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.605 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.468 ' OD2' ' N ' ' A' ' 49' ' ' LEU . 1.6 p30 -63.99 -31.75 73.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.537 ' CG2' ' CD1' ' A' ' 48' ' ' LEU . 2.3 t -53.58 -46.75 60.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.478 HG21 ' CE ' ' A' ' 70' ' ' MET . 24.8 p -66.91 -41.12 87.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -58.54 -44.03 89.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.501 ' CD1' HG22 ' A' ' 19' ' ' ILE . 13.1 tp -68.4 -48.28 65.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.518 ' HG2' ' CD1' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -58.32 -30.57 66.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' A' ' 61' ' ' LEU . 7.3 ttt180 -69.94 -36.16 75.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.62 -39.31 75.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.432 HG12 ' CB ' ' A' ' 23' ' ' ALA . 12.9 mt -79.11 -44.09 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.511 ' CD1' ' O ' ' A' ' 57' ' ' MET . 0.1 OUTLIER -117.35 136.22 53.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.609 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -67.32 -169.59 4.23 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.47 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.1 Cg_endo -75.03 -19.2 18.0 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.489 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -68.96 -55.99 9.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.609 ' HD2' ' C ' ' A' ' 62' ' ' GLY . 18.2 Cg_endo -75.07 -20.04 17.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.509 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 0.6 OUTLIER -53.0 -43.82 66.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 111.043 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.27 -35.39 80.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.0 mp -69.73 -42.89 73.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.349 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.645 ' CH2' ' CE3' ' A' ' 73' ' ' TRP . 27.2 t90 -71.29 -38.71 71.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 108.013 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.478 ' CE ' HG21 ' A' ' 54' ' ' THR . 8.0 mmt -66.72 -35.55 80.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -71.15 -45.45 63.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.78 -34.92 74.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.645 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 18.2 t90 -66.3 -41.22 90.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.022 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.2 -49.43 75.8 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 37.7 t -68.48 -45.87 81.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 109.272 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -54.58 -46.12 73.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.429 HD21 ' CD1' ' A' ' 106' ' ' LEU . 0.8 OUTLIER -55.87 -45.1 78.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -61.86 -37.82 85.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.19 -35.61 73.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.3 t -69.13 -34.57 64.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.405 HG13 ' CD1' ' A' ' 103' ' ' LEU . 17.5 mm -66.01 -48.26 82.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.93 -36.31 75.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.34 -38.84 91.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.568 ' HA ' ' CD2' ' A' ' 90' ' ' HIS . . . -62.43 -50.4 71.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.14 -29.12 68.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -75.26 -38.86 60.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -114.18 111.03 47.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 55.03 3.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.89 32.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.568 ' CD2' ' HA ' ' A' ' 84' ' ' ALA . 0.3 OUTLIER -83.51 138.18 41.5 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 109.604 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.432 ' HD2' ' ND1' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -75.03 -21.91 15.3 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.789 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.11 -10.82 59.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.41 ' ND2' ' HB2' ' A' ' 90' ' ' HIS . 87.5 m-20 -81.05 154.26 26.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 160.93 104.08 0.19 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -145.25 -62.61 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 0.0 110.269 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.75 -121.1 0.58 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.61 -0.1 22.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -111.3 -51.06 0.6 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 65.83 65.87 0.52 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.2 123.03 39.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.476 HG23 ' CB ' ' A' ' 84' ' ' ALA . 4.2 t -71.07 169.9 14.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.44 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -142.05 140.59 32.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.405 ' CD1' HG13 ' A' ' 81' ' ' ILE . 5.7 tp -59.23 -29.87 67.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -63.1 -40.35 97.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.424 ' O ' ' CE ' ' A' ' 113' ' ' MET . 4.6 mtt180 -64.14 -46.92 81.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.429 ' CD1' HD21 ' A' ' 77' ' ' LEU . 95.9 mt -69.43 -15.63 63.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.28 -59.93 2.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.235 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 108.57 30.02 3.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.109 . . . . 0.0 110.955 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.4 tp -107.24 -7.53 16.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.451 ' CB ' ' HE1' ' A' ' 113' ' ' MET . . . -58.79 162.67 3.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -71.61 125.34 26.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.1 -2.38 65.85 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.496 ' SD ' ' CD2' ' A' ' 124' ' ' LEU . 0.2 OUTLIER -98.94 -34.41 10.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 0.742 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -97.93 132.45 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.84 2.73 66.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.12 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -151.96 116.84 3.05 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -74.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -36.24 64.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.66 -39.29 97.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.413 ' CG ' ' SD ' ' A' ' 113' ' ' MET . 1.6 tt0 -66.28 -44.37 83.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.57 89.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.88 -16.98 62.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.9 tt -79.08 -41.53 28.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.496 ' CD2' ' SD ' ' A' ' 113' ' ' MET . 0.1 OUTLIER -91.47 129.74 37.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.445 ' NH1' ' HB2' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -57.5 158.13 11.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 107.98 2.61 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 166.55 -54.77 0.24 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.12 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.446 ' HG2' ' N ' ' A' ' 129' ' ' LEU . 2.3 pm0 -57.23 -29.32 63.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.446 ' N ' ' HG2' ' A' ' 128' ' ' GLU . 18.5 mt -57.08 -45.06 83.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 42.2 t -66.47 -39.96 85.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.56 -40.05 81.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 21.0 mt -68.83 -38.64 78.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.513 ' CG2' ' SD ' ' A' ' 44' ' ' MET . 8.8 m -65.41 -49.41 69.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.24 89.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.373 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.41 -36.08 73.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.026 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.59 98.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.427 ' CD2' ' HG3' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -69.92 -33.17 71.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -64.16 -43.12 96.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.427 ' HB1' ' N ' ' A' ' 73' ' ' TRP . . . -68.55 -33.55 74.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -63.82 -58.72 5.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -54.22 -26.7 29.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -68.75 -43.08 76.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 24.6 t -63.16 -42.76 97.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.25 -22.67 60.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 146' ' ' LEU . 0.1 OUTLIER -62.66 -43.62 98.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 145' ' ' ARG . 4.6 mm? -39.38 105.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . 64.71 78.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -117.31 102.9 52.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 133.93 17.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.479 1.778 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -104.01 151.89 22.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 130.21 101.97 0.96 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.146 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.48 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo -75.06 -47.07 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.441 1.758 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' TRP . . . . . 0.559 ' CH2' HD11 ' A' ' 180' ' ' LEU . 26.7 p90 -101.11 -26.44 13.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 108.008 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.0 -32.92 66.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.83 -22.1 43.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.561 HG23 ' CE1' ' A' ' 167' ' ' PHE . 52.4 mt -77.5 120.89 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.147 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.601 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 42.0 p -131.32 134.19 46.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.351 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . 0.562 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 8.7 tm0? -68.76 124.14 22.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -115.52 160.17 13.42 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -23.65 13.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 89.7 p -73.92 -30.73 62.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 110.006 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -104.22 136.19 44.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 11.1 t -56.76 140.5 47.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . 0.447 ' CE2' ' CG1' ' A' ' 222' ' ' VAL . 0.5 OUTLIER -55.67 -52.42 63.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.454 HG23 ' CG2' ' A' ' 219' ' ' ILE . 1.0 OUTLIER -60.01 -43.33 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -57.06 -43.99 82.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.601 ' CE1' ' C ' ' A' ' 157' ' ' THR . 56.5 t80 -67.81 -40.77 83.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 193' ' ' PHE . . . -58.21 -36.5 73.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -64.86 -49.23 71.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -59.06 -37.42 77.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.572 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.7 OUTLIER -69.98 -50.57 40.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 59.5 mt -57.75 -35.49 51.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -37.53 77.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.86 -40.55 79.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . . . . . . . . . 25.4 t -69.89 -41.13 79.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.78 -35.59 81.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -93.54 23.66 29.29 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 60.4 p -124.79 166.12 16.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.775 . . . . 0.0 109.942 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.34 91.32 5.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.559 HD11 ' CH2' ' A' ' 153' ' ' TRP . 19.6 mt -117.81 158.13 46.42 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.4 16.44 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.4 Cg_endo -74.94 136.02 19.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 1.7 t 85.16 -9.03 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -87.9 -18.97 28.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -86.43 75.34 9.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.512 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 174.76 -56.92 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' PRO . . . . . 0.512 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -74.99 -28.41 9.2 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 43.0 t -66.82 -43.0 89.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 11.9 mt -67.82 -48.36 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' ILE . . . . . 0.466 HD13 ' N ' ' A' ' 214' ' ' THR . 29.1 mt -65.66 -39.49 85.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 187' ' ' PRO . 17.0 t70 -63.96 -36.39 83.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 192' ' ' CYS . . . . . 0.449 ' CB ' HD13 ' A' ' 171' ' ' LEU . 20.2 m -56.8 -42.79 80.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 108.328 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 193' ' ' PHE . . . . . 0.435 ' CD2' ' HA ' ' A' ' 190' ' ' ILE . 17.7 m-30 -61.15 -50.48 73.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -84.8 14.89 4.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.45 -33.11 10.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -168.87 75.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 197' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 193' ' ' PHE . 51.8 p -141.06 165.93 26.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.993 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 198' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 197' ' ' SER . 2.8 mp0 -43.14 166.35 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -38.89 1.38 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.507 1.793 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -65.42 -50.2 66.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 11.7 mm -61.76 -45.42 98.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.231 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -65.63 -46.02 80.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -60.64 -34.25 74.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . 0.7 ' CD2' ' CE2' ' A' ' 221' ' ' TYR . 0.6 OUTLIER -64.3 -49.85 70.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -39.93 87.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -38.72 92.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -83.84 -11.91 56.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 208' ' ' ALA . . . . . 0.43 ' CB ' ' CE2' ' A' ' 221' ' ' TYR . . . -63.75 161.1 39.68 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . 0.456 ' HD2' ' CD1' ' A' ' 212' ' ' LEU . 18.3 Cg_endo -74.94 155.73 43.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.66 9.26 9.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 46.8 m -92.6 -9.2 41.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 212' ' ' LEU . . . . . 0.526 ' O ' ' CG2' ' A' ' 213' ' ' THR . 2.7 mt -105.02 132.26 51.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 213' ' ' THR . . . . . 0.526 ' CG2' ' O ' ' A' ' 212' ' ' LEU . 1.0 OUTLIER -163.33 38.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.442 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 214' ' ' THR . . . . . 0.466 ' N ' HD13 ' A' ' 190' ' ' ILE . 13.3 p -133.82 153.01 79.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.401 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 55.39 3.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 216' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 220' ' ' LYS . . . -164.87 -50.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.536 1.148 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -71.72 -33.32 68.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.77 . . . . 0.0 110.252 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 218' ' ' ILE . . . . . 0.497 ' CD1' ' HB2' ' A' ' 212' ' ' LEU . 33.7 mm -65.05 -50.48 74.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 219' ' ' ILE . . . . . 0.454 ' CG2' HG23 ' A' ' 165' ' ' VAL . 3.0 mt -72.01 -41.42 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 220' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 216' ' ' GLY . 0.2 OUTLIER -59.24 -38.17 79.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.245 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.7 ' CE2' ' CD2' ' A' ' 204' ' ' LEU . 15.7 t80 -73.87 -45.11 52.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . 0.447 ' CG1' ' CE2' ' A' ' 164' ' ' PHE . 2.4 t -60.14 -43.65 93.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.65 -39.7 91.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -63.73 -34.26 77.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . 0.473 ' CB ' HD23 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -79.19 -39.74 32.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -51.58 -51.06 58.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.6 130.65 38.15 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 5.6 mt -131.93 130.58 61.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . -134.81 154.53 79.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.362 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.447 ' N ' ' OE1' ' A' ' 118' ' ' GLN . 2.7 p-90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.2 p -102.84 142.74 25.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.404 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 124.89 8.95 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.431 ' CD1' HD12 ' A' ' 19' ' ' ILE . 18.8 tp -116.25 154.83 29.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.55 105.18 51.66 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.01 -25.54 11.75 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.449 1.762 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -65.67 -45.81 81.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.455 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 29.2 mt -69.86 -37.43 76.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.431 HD12 ' CD1' ' A' ' 14' ' ' LEU . 73.7 mt -71.07 -41.22 76.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 16' ' ' PRO . 52.2 m -68.93 -52.23 31.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.482 ' CG ' ' N ' ' A' ' 22' ' ' LEU . 9.3 ptm180 -57.26 -41.83 80.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.482 ' N ' ' CG ' ' A' ' 21' ' ' ARG . 2.5 tm? -66.31 -38.6 88.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.49 -31.34 70.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -60.99 -42.38 98.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.52 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 2.6 m -66.89 -37.63 84.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.434 ' CG1' HG22 ' A' ' 36' ' ' THR . 2.1 t -63.27 -43.6 98.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -65.71 -49.15 69.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.0 p -65.35 -33.47 76.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.372 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.52 ' CG ' ' O ' ' A' ' 25' ' ' THR . 14.2 mmtt -81.36 -12.38 59.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.89 121.61 4.89 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.406 HD22 ' CG1' ' A' ' 26' ' ' VAL . 1.1 tm? -66.12 -32.58 74.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -89.13 2.6 53.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.29 164.64 40.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.046 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -35.63 2.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.521 1.801 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.469 ' CG2' ' CB ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -50.31 -23.92 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.434 HG22 ' CG1' ' A' ' 26' ' ' VAL . 52.9 m -58.88 -49.72 76.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 38.6 mmt -64.7 -33.09 75.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.35 -52.33 28.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.09 -47.66 84.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.497 ' CG1' ' SD ' ' A' ' 44' ' ' MET . 57.3 t -58.8 -49.41 82.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 45' ' ' SER . 20.4 mt-10 -60.36 -23.1 64.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.57 -55.02 23.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.431 ' CD2' ' HA ' ' A' ' 40' ' ' VAL . 0.6 OUTLIER -72.88 -40.56 65.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.503 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 16.1 mtt -76.11 -9.62 58.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 41' ' ' GLU . 5.3 m -33.79 -49.5 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.967 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 p -88.7 161.99 40.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.79 37.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.518 ' CD1' ' CG2' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -146.51 -172.37 3.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.407 ' CD2' ' HB2' ' A' ' 121' ' ' ALA . 0.9 OUTLIER -92.4 164.95 20.82 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -25.97 11.29 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.485 1.782 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.478 ' O ' ' OG1' ' A' ' 54' ' ' THR . 14.7 m170 -67.6 -51.36 51.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 109.614 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 53' ' ' VAL . 3.3 p30 -65.54 -30.72 71.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.518 ' CG2' ' CD1' ' A' ' 48' ' ' LEU . 2.2 t -56.41 -48.31 80.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 51' ' ' HIS . 38.0 p -65.32 -49.79 68.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 110.401 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.468 ' ND2' ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -56.97 -41.83 79.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.426 HD12 ' CD1' ' A' ' 60' ' ' ILE . 5.7 tp -65.77 -52.64 49.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.555 ' HG2' ' CD1' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -57.1 -29.42 63.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 61' ' ' LEU . 14.0 ttt-85 -67.92 -36.24 79.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.6 t -74.93 -48.51 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.426 ' CD1' HD12 ' A' ' 56' ' ' LEU . 2.1 mt -70.12 -44.28 78.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 140' ' ' PHE . 1.5 tm? -107.34 128.5 54.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.426 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -42.63 161.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -25.06 12.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.506 1.793 . . . . 0.0 110.959 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.552 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -71.46 -59.24 3.27 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.552 ' HD3' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.03 -4.7 15.79 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.413 ' CB ' ' O ' ' A' ' 62' ' ' GLY . 0.1 OUTLIER -67.7 -41.38 83.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.058 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.78 -30.07 68.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.467 ' CB ' HG22 ' A' ' 143' ' ' VAL . 3.9 mp -71.86 -38.99 69.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.555 ' CD1' ' HG2' ' A' ' 57' ' ' MET . 3.0 t90 -65.56 -37.74 87.56 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 45.0 tpp -59.29 -42.21 90.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -71.1 -46.44 61.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.24 72.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.418 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 19.5 t90 -63.9 -41.36 97.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 108.003 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.9 -46.62 93.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 15.2 t -66.19 -39.92 85.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -59.06 -45.62 90.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mt -56.02 -46.31 78.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.47 ' HG2' ' CD2' ' A' ' 103' ' ' LEU . 64.3 mt-30 -63.2 -31.43 72.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -35.04 77.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.405 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.472 HG12 ' CE1' ' A' ' 90' ' ' HIS . 2.6 t -66.96 -34.87 72.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.407 HG12 ' N ' ' A' ' 103' ' ' LEU . 0.8 OUTLIER -78.01 -50.27 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.18 -37.25 76.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.423 ' HB3' ' NE2' ' A' ' 90' ' ' HIS . . . -65.4 -49.16 70.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.14 -48.47 81.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 m -60.42 -37.01 79.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.1 ttt-85 -75.09 -43.27 54.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -136.14 123.56 14.64 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 54.81 3.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.442 1.759 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -127.51 12.01 6.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.472 ' CE1' HG12 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -87.52 140.87 31.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.582 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -26.6 10.75 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.524 1.802 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.06 -12.47 60.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.49 150.76 22.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.04 -86.9 0.08 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.416 1.072 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -151.64 37.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.66 -119.44 5.98 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.465 1.103 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -4.2 27.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.55 -32.81 67.53 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -150.04 -61.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.77 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 72.02 123.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.1 t -77.08 170.01 17.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.443 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.18 148.84 26.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.47 ' CD2' ' HG2' ' A' ' 78' ' ' GLN . 6.9 tp -61.24 -30.34 70.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -64.75 -41.79 95.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -64.78 -45.43 86.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.3 mt -72.97 -15.96 61.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.407 ' CD ' ' O ' ' A' ' 103' ' ' LEU . 1.9 mptp? -70.88 -51.3 27.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.482 ' O ' ' CG1' ' A' ' 114' ' ' VAL . . . 116.6 10.48 10.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.146 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.4 tp -76.68 -3.02 35.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 0.758 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.471 ' HB3' ' CE ' ' A' ' 113' ' ' MET . . . -58.83 158.29 8.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.07 122.09 17.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 85.01 -11.11 61.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.481 ' HA ' ' CB ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -78.87 -31.08 45.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 0.715 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.482 ' CG1' ' O ' ' A' ' 108' ' ' GLY . 0.0 OUTLIER -98.24 136.41 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.48 3.16 64.98 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -156.24 103.49 2.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -44.05 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.447 ' OE1' ' N ' ' A' ' 11' ' ' TRP . 20.7 mp0 -76.94 -34.05 57.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -71.18 -43.21 56.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.481 ' CB ' ' HA ' ' A' ' 113' ' ' MET . 7.9 pt20 -67.02 -43.58 82.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 0.791 . . . . 0.0 110.31 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.452 ' N ' ' HG3' ' A' ' 120' ' ' GLN . . . -58.09 -30.9 66.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.12 -30.15 55.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.521 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -84.38 -14.97 48.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.459 HD21 ' CE ' ' A' ' 113' ' ' MET . 40.6 mt -91.68 102.08 14.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.503 ' CD ' ' OE1' ' A' ' 128' ' ' GLU . 0.1 OUTLIER -46.96 159.37 0.38 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 107.76 2.56 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.484 1.781 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.87 -53.83 0.27 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.553 1.158 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.503 ' OE1' ' CD ' ' A' ' 125' ' ' ARG . 7.5 pm0 -66.66 -31.78 72.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 110.31 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.422 ' N ' ' HG2' ' A' ' 128' ' ' GLU . 27.8 mt -59.17 -40.18 84.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 44.4 t -67.88 -39.14 81.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.89 -39.38 71.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 43.8 mt -66.9 -39.97 84.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.481 ' CG2' ' HG2' ' A' ' 44' ' ' MET . 1.3 m -65.4 -49.77 68.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.76 -43.9 97.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 6.3 t -63.11 -38.21 90.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.003 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.32 -39.92 94.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.503 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -66.42 -39.9 89.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.63 -37.6 87.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.525 ' HB1' ' CD1' ' A' ' 69' ' ' TRP . . . -67.8 -33.23 74.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 19.8 t80 -62.81 -62.11 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -53.02 -24.92 10.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -67.55 -39.0 84.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.467 HG22 ' CB ' ' A' ' 68' ' ' LEU . 23.7 t -76.46 -43.08 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.5 -49.97 75.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -70.03 -43.96 70.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.3 tt 59.89 154.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -151.89 178.23 9.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -115.48 148.11 40.22 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.163 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.61 5.16 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.52 1.8 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -103.71 151.36 23.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -67.24 153.02 52.91 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.117 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.564 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.2 Cg_endo -75.06 -44.81 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' TRP . . . . . 0.564 ' CE3' ' HD2' ' A' ' 152' ' ' PRO . 37.1 p90 -52.69 -27.46 17.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 108.02 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.49 -32.58 74.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -79.57 -18.52 51.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.535 HG23 ' CE1' ' A' ' 167' ' ' PHE . 9.7 mt -85.24 120.72 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.613 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 39.6 m -125.92 138.67 53.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . 0.567 ' HB2' ' CD2' ' A' ' 167' ' ' PHE . 6.7 tm0? -75.73 129.98 37.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -109.11 158.31 14.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -19.0 18.16 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.22 -31.45 33.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.587 1.179 . . . . 0.0 109.948 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.57 135.26 40.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.66 142.13 46.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.94 -49.43 73.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.42 ' O ' ' ND2' ' A' ' 169' ' ' ASN . 0.8 OUTLIER -62.4 -36.24 73.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.1 -48.58 79.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.613 ' CE1' ' C ' ' A' ' 157' ' ' THR . 84.9 t80 -67.3 -32.99 74.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 193' ' ' PHE . . . -62.36 -34.24 76.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 165' ' ' VAL . 34.6 m-80 -68.31 -50.62 52.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 1.3 mtp-105 -60.33 -37.28 80.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.271 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.54 HD11 ' CE2' ' A' ' 167' ' ' PHE . 1.2 tt -70.85 -51.34 27.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . 0.472 ' CG1' HG23 ' A' ' 189' ' ' ILE . 34.8 mt -57.27 -34.62 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.37 -37.53 77.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . 0.498 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -69.06 -46.58 67.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . . . . . . . . . 25.2 t -61.6 -45.5 98.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.03 -43.11 63.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -94.45 28.24 11.6 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.48 166.23 11.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 0.799 . . . . 0.0 109.993 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -94.43 86.35 4.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.544 HD11 ' CH2' ' A' ' 153' ' ' TRP . 21.5 mt -128.06 158.68 70.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 161.9 38.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.792 . . . . 0.0 110.958 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . 0.516 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.2 Cg_endo -75.06 83.08 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.9 OUTLIER 158.81 -35.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.004 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.462 ' C ' ' HD2' ' A' ' 187' ' ' PRO . . . -82.37 -9.9 59.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -84.71 70.69 10.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.58 ' CA ' ' HD3' ' A' ' 215' ' ' PRO . . . 171.31 -55.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -74.99 -26.58 10.81 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.449 1.763 . . . . 0.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 7.8 t -66.66 -36.01 76.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . 0.7 ' CG2' ' CZ ' ' A' ' 193' ' ' PHE . 5.4 mt -68.8 -45.47 80.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' ILE . . . . . 0.553 ' CD1' ' N ' ' A' ' 214' ' ' THR . 66.3 mt -60.83 -35.83 67.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 195' ' ' GLN . 6.9 t70 -58.21 -48.09 81.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 192' ' ' CYS . . . . . 0.467 ' CB ' HD12 ' A' ' 171' ' ' LEU . 11.5 m -53.15 -49.14 67.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.315 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 193' ' ' PHE . . . . . 0.7 ' CZ ' ' CG2' ' A' ' 189' ' ' ILE . 8.5 m-30 -54.75 -24.85 24.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 194' ' ' ARG . . . . . 0.501 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 10.8 ptt180 -124.48 29.91 6.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 191' ' ' ASP . 2.3 tm0? -114.43 -56.1 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 196' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 197' ' ' SER . 5.2 tttp -118.06 -39.14 3.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 197' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 198' ' ' GLN . 1.1 m -38.8 158.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.031 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 198' ' ' GLN . . . . . 0.41 ' O ' ' O ' ' A' ' 197' ' ' SER . 2.8 mp0 -42.89 166.34 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 199' ' ' PRO . . . . . 0.413 ' O ' ' HG2' ' A' ' 202' ' ' GLN . 18.3 Cg_endo -75.05 -33.07 4.81 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.37 -34.79 78.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 17.7 mm -78.18 -45.68 26.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 199' ' ' PRO . 5.1 pt20 -65.68 -40.39 92.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 38.5 tp60 -62.93 -37.71 88.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . 0.563 HD22 ' CE2' ' A' ' 221' ' ' TYR . 0.3 OUTLIER -66.19 -49.1 68.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.501 ' CG2' ' HB3' ' A' ' 194' ' ' ARG . 0.5 OUTLIER -62.6 -40.01 86.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -64.0 -36.86 85.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.255 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -86.82 4.0 42.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 208' ' ' ALA . . . . . . . . . . . . . . . -67.76 158.45 83.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 155.09 42.83 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.537 1.809 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.26 1.46 44.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 97.2 m -84.97 -2.48 57.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 110.386 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 212' ' ' LEU . . . . . 0.47 ' CD1' HD12 ' A' ' 218' ' ' ILE . 0.0 OUTLIER -145.57 138.13 25.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.351 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 213' ' ' THR . . . . . 0.506 ' C ' ' CD1' ' A' ' 190' ' ' ILE . 1.0 OUTLIER -155.5 43.0 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.411 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 214' ' ' THR . . . . . 0.553 ' N ' ' CD1' ' A' ' 190' ' ' ILE . 0.4 OUTLIER -134.42 158.91 74.12 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.393 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 215' ' ' PRO . . . . . 0.58 ' HD3' ' CA ' ' A' ' 186' ' ' ALA . 18.4 Cg_endo -75.0 55.18 3.87 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.806 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -148.67 -62.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.71 -32.54 60.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.784 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 218' ' ' ILE . . . . . 0.47 HD12 ' CD1' ' A' ' 212' ' ' LEU . 1.4 mp -62.87 -51.21 74.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.359 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 219' ' ' ILE . . . . . . . . . . . . . 4.0 mt -62.26 -50.12 81.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -56.68 -33.74 66.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.563 ' CE2' HD22 ' A' ' 204' ' ' LEU . 5.8 t80 -74.21 -47.31 36.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 3.8 t -60.47 -49.78 82.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.418 ' CD1' HG22 ' A' ' 165' ' ' VAL . 54.9 mt -57.24 -40.74 78.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.78 -32.88 74.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . 0.415 ' CB ' HD21 ' A' ' 204' ' ' LEU . 3.1 tpt180 -74.32 -34.53 63.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -59.2 -56.16 25.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.325 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 58.45 167.76 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 2.0 tt -82.85 -5.37 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . -159.75 155.35 22.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 49.6 t90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 15.1 t -132.49 142.57 45.38 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 12' ' ' THR . 18.2 Cg_endo -74.99 125.5 9.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 0.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.422 ' CD2' HD11 ' A' ' 19' ' ' ILE . 2.4 pp -113.86 155.19 26.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -113.99 149.32 41.72 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.427 ' O ' ' CB ' ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.08 -29.52 8.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.79 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -63.4 -50.92 67.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.433 ' N ' ' CG ' ' A' ' 17' ' ' LYS . 82.4 mt -69.75 -45.79 67.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.422 HD11 ' CD2' ' A' ' 14' ' ' LEU . 9.6 mt -59.26 -37.43 68.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.427 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 1.4 m -62.08 -38.43 88.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.381 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.53 -48.38 75.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.331 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -66.53 -39.11 88.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.465 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -65.32 -34.65 78.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.21 -47.94 82.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.476 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -59.62 -37.89 79.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.385 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.467 ' CG1' HD22 ' A' ' 31' ' ' LEU . 9.1 t -59.63 -44.11 92.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.14 -48.65 72.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.7 p -71.92 -15.65 62.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.394 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 25' ' ' THR . 23.0 mmtm -94.87 -14.74 24.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.88 127.46 3.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.467 HD22 ' CG1' ' A' ' 26' ' ' VAL . 1.1 mt -67.74 -19.05 65.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 0.769 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.2 ptt-85 -95.21 2.04 54.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 12.7 m -89.85 160.38 41.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.022 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -24.4 12.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.798 . . . . 0.0 110.999 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.412 HG21 ' CB ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -62.48 -31.27 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.427 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 3.3 m -66.5 -49.05 67.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.38 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 20.5 mmt -64.72 -38.03 89.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.26 -52.24 29.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.468 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 8.3 mt-10 -60.02 -47.29 86.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 36' ' ' THR . 53.0 t -61.3 -39.47 82.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.465 ' HG3' ' CD2' ' A' ' 137' ' ' LEU . 31.0 mt-10 -69.16 -24.66 64.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.342 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.49 -54.75 20.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.0 -48.05 64.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.485 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 22.1 mtt -71.94 -10.79 60.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' GLU . 57.7 p -35.96 -37.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.19 165.14 14.11 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.66 12.54 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.518 1.799 . . . . 0.0 110.945 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.46 HD11 ' CG2' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -123.34 -174.3 2.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.459 ' CD2' ' HB2' ' A' ' 121' ' ' ALA . 0.3 OUTLIER -88.7 162.6 38.36 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -33.91 4.22 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.423 ' O ' ' OG1' ' A' ' 54' ' ' THR . 9.8 t-80 -68.11 -44.6 75.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.55 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 18.8 m-20 -64.27 -32.44 74.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.46 ' CG2' HD11 ' A' ' 48' ' ' LEU . 38.3 t -56.43 -47.29 81.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.487 HG21 ' CE ' ' A' ' 70' ' ' MET . 61.0 p -67.54 -45.91 74.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.469 ' C ' ' ND2' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -57.55 -43.85 84.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.464 ' N ' ' CG ' ' A' ' 55' ' ' ASN . 4.0 tp -68.13 -42.08 80.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.529 ' HG2' ' CE2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -62.98 -31.23 72.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.411 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 16.1 ttt-85 -68.41 -36.77 79.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.9 t -70.9 -44.77 75.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.465 HG12 ' CB ' ' A' ' 23' ' ' ALA . 98.6 mt -72.38 -43.3 64.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -120.78 132.5 55.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.496 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -62.13 -166.63 0.53 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.405 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -74.94 -19.58 17.84 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.491 1.785 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.547 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -71.51 -58.75 3.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.547 ' HD3' ' CB ' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.0 4.51 4.68 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.453 1.765 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.411 ' CE1' ' HB2' ' A' ' 58' ' ' ARG . 2.8 t80 -77.67 -47.51 19.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.59 -30.0 70.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.429 ' HB3' ' CG2' ' A' ' 143' ' ' VAL . 6.0 mp -68.8 -46.54 68.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.751 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 27.8 t90 -70.68 -41.54 71.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 108.004 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.487 ' CE ' HG21 ' A' ' 54' ' ' THR . 11.3 mmt -61.9 -38.1 87.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -68.79 -44.21 74.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.89 -28.69 62.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.259 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.751 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 16.8 t90 -71.69 -44.22 64.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 108.042 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.91 -45.31 92.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.38 -46.37 80.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 0.752 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -55.93 -45.98 78.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.454 ' CD2' HD11 ' A' ' 106' ' ' LEU . 2.1 mt -60.73 -45.46 94.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.428 ' HA ' ' CD1' ' A' ' 103' ' ' LEU . 35.9 mt-30 -60.4 -30.21 69.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.73 -34.92 77.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.378 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.97 -46.95 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.56 -50.18 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.46 86.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.3 -49.24 78.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.415 ' CB ' HG23 ' A' ' 101' ' ' THR . . . -60.48 -49.32 78.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 m -58.95 -29.07 66.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.395 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -74.78 -38.92 62.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -135.13 119.11 13.26 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 54.93 3.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.87 23.57 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.11 141.69 33.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.573 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.09 15.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.432 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -75.49 -7.12 53.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -78.92 144.44 34.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.403 ' HA3' ' NH2' ' A' ' 125' ' ' ARG . . . 158.8 137.49 2.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -175.97 -69.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 110.336 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -155.99 -122.39 0.76 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.102 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -78.1 0.03 26.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.746 . . . . 0.0 110.267 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -106.06 -54.34 0.72 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 65.36 66.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 110.328 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -133.13 128.4 36.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 110.252 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.415 HG23 ' CB ' ' A' ' 84' ' ' ALA . 13.4 t -72.96 161.35 30.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.387 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.11 155.92 39.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.428 ' CD1' ' HA ' ' A' ' 78' ' ' GLN . 0.6 OUTLIER -62.93 -42.98 99.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.63 -39.03 86.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -45.97 92.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.454 HD11 ' CD2' ' A' ' 77' ' ' LEU . 23.8 mt -75.6 -16.5 60.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.39 -48.04 16.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.403 ' CA ' ' OE1' ' A' ' 120' ' ' GLN . . . 114.41 19.1 6.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.2 tp -91.62 6.35 46.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 109.283 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.46 ' HB1' ' CE ' ' A' ' 113' ' ' MET . . . -58.66 162.01 4.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -61.15 125.16 22.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 77.8 -1.06 69.24 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.46 ' CE ' ' HB1' ' A' ' 110' ' ' ALA . 8.5 mtt -102.37 -21.49 14.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.769 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 10.7 t -69.75 125.3 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 78.83 -3.44 64.58 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -121.99 98.65 44.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -62.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.02 -43.93 70.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.53 -35.65 92.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.455 ' HG2' ' CD1' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -65.77 -42.06 91.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.786 . . . . 0.0 110.31 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.459 ' HB2' ' CD2' ' A' ' 49' ' ' LEU . . . -65.88 -35.83 81.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.02 -20.16 58.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.95 -33.3 19.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.455 ' CD1' ' HG2' ' A' ' 120' ' ' GLN . 5.2 mt -78.94 148.72 32.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -73.62 157.74 87.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 108.24 2.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.31 -42.28 1.09 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.097 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.432 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 1.5 mt-10 -56.56 -34.68 67.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 0.753 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.42 -41.25 96.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 51.8 t -59.33 -39.78 79.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.74 -38.86 76.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 8.2 mt -69.05 -42.16 81.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.484 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 1.7 m -63.26 -46.25 87.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.386 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.02 99.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 29.1 p -67.48 -33.72 75.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.987 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.18 -42.31 80.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.485 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -69.18 -36.38 77.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -66.92 -39.52 87.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.21 -30.79 69.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.411 ' CZ ' ' CG2' ' A' ' 36' ' ' THR . 2.4 t80 -65.56 -62.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 2.6 ptp85 -52.8 -26.08 13.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -72.53 -30.39 64.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.429 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 3.3 t -84.68 -31.35 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.21 -49.92 25.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.509 ' O ' ' C ' ' A' ' 146' ' ' LEU . 5.1 tmm_? -60.9 -45.27 95.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.509 ' C ' ' O ' ' A' ' 145' ' ' ARG . 0.2 OUTLIER 31.0 86.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.463 ' O ' ' NH1' ' A' ' 145' ' ' ARG . . . -175.88 136.51 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -117.84 118.79 34.48 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 109.7 2.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.465 1.771 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -103.62 151.89 22.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.91 87.62 0.07 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.462 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo -75.0 -46.88 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' TRP . . . . . 0.492 ' CH2' HD22 ' A' ' 180' ' ' LEU . 38.9 p90 -77.41 -19.3 56.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 108.005 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.83 -32.82 67.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -79.8 -19.22 49.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.557 HG22 ' CE1' ' A' ' 167' ' ' PHE . 9.5 mt -84.17 121.0 36.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.596 ' O ' ' CE1' ' A' ' 167' ' ' PHE . 1.9 m -127.37 141.93 51.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . 0.554 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 2.9 tm0? -85.77 129.93 34.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.433 ' N ' ' OE2' ' A' ' 162' ' ' GLU . . . -127.87 163.72 21.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -27.74 9.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.782 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 3.0 m -67.97 -29.36 68.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.433 ' OE2' ' N ' ' A' ' 159' ' ' GLY . 15.8 pt-20 -102.68 135.65 43.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.404 ' CB ' ' HB2' ' A' ' 166' ' ' ASP . 0.5 OUTLIER -57.3 133.05 54.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.003 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . 0.506 ' CE2' HG13 ' A' ' 222' ' ' VAL . 2.4 t80 -55.84 -51.84 66.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.466 HG22 ' CD1' ' A' ' 223' ' ' LEU . 0.3 OUTLIER -62.68 -44.24 99.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.42 ' N ' ' CG1' ' A' ' 165' ' ' VAL . 45.9 m-20 -59.0 -47.83 83.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 157' ' ' THR . 84.4 t80 -64.58 -40.48 95.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.65 -39.76 71.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -63.42 -43.36 97.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -62.86 -37.53 87.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.495 HD11 ' CE2' ' A' ' 167' ' ' PHE . 0.4 OUTLIER -71.3 -45.87 62.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 23.0 mt -61.25 -38.9 80.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -68.96 -37.44 78.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . 0.497 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -68.51 -41.04 80.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . . . . . . . . . 37.7 t -69.4 -45.25 79.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -55.6 -33.69 64.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -98.55 19.8 52.95 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 25.5 p -112.89 165.81 11.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -93.51 88.8 6.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.492 HD22 ' CH2' ' A' ' 153' ' ' TRP . 16.9 mt -126.57 155.01 75.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 162.79 36.57 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 75.67 3.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.792 . . . . 0.0 110.967 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 167.44 -31.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.974 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -81.49 -11.93 59.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -84.43 70.52 10.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.517 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 175.6 -57.4 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' PRO . . . . . 0.517 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.4 Cg_endo -74.98 -29.94 7.73 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 24.5 t -65.2 -41.08 90.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . 0.564 HG21 ' CZ ' ' A' ' 193' ' ' PHE . 39.1 mt -66.32 -48.06 82.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' ILE . . . . . 0.5 HG23 HG13 ' A' ' 218' ' ' ILE . 29.6 mt -65.61 -41.92 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' A' ' 191' ' ' ASP . 31.9 t0 -59.62 -40.56 87.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 192' ' ' CYS . . . . . 0.412 ' CB ' HD12 ' A' ' 171' ' ' LEU . 24.4 m -53.9 -48.5 70.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 193' ' ' PHE . . . . . 0.564 ' CZ ' HG21 ' A' ' 189' ' ' ILE . 7.2 m-30 -53.34 -45.1 68.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.01 20.37 10.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -102.16 -33.9 9.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 196' ' ' LYS . . . . . 0.412 ' CD ' HG23 ' A' ' 157' ' ' THR . 0.0 OUTLIER -164.09 72.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 197' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 198' ' ' GLN . 4.8 p -147.37 157.04 43.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 198' ' ' GLN . . . . . 0.506 ' HB2' ' HD2' ' A' ' 199' ' ' PRO . 0.3 OUTLIER -39.29 162.35 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 199' ' ' PRO . . . . . 0.506 ' HD2' ' HB2' ' A' ' 198' ' ' GLN . 18.4 Cg_endo -75.03 -30.6 6.95 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.497 1.788 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -45.29 85.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.452 ' CD1' HG13 ' A' ' 222' ' ' VAL . 2.8 mm -74.96 -45.75 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -59.28 -40.46 86.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 199' ' ' PRO . 2.8 tp-100 -64.67 -33.48 76.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 225' ' ' ARG . 0.5 OUTLIER -70.33 -48.88 54.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.478 ' O ' ' CB ' ' A' ' 208' ' ' ALA . 0.2 OUTLIER -63.28 -39.1 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -64.44 -42.78 95.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -78.17 -0.26 27.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 208' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 205' ' ' ILE . . . -59.92 151.11 66.16 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . 0.506 ' HD2' ' CD1' ' A' ' 212' ' ' LEU . 18.2 Cg_endo -74.96 146.83 33.32 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 110.984 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 12.9 m -69.33 61.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 13.5 m -156.74 -38.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.433 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 212' ' ' LEU . . . . . 0.506 ' CD1' ' HD2' ' A' ' 209' ' ' PRO . 1.6 mt -74.03 124.01 25.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 213' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 212' ' ' LEU . 1.4 p -161.3 32.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.428 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 214' ' ' THR . . . . . 0.478 ' N ' HD13 ' A' ' 190' ' ' ILE . 7.0 p -127.61 153.21 77.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.431 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.21 3.89 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -164.78 -51.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -71.5 -32.71 68.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 218' ' ' ILE . . . . . 0.502 ' CD1' ' HB2' ' A' ' 212' ' ' LEU . 50.8 mm -68.64 -51.7 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 219' ' ' ILE . . . . . 0.4 ' HA ' ' CE2' ' A' ' 164' ' ' PHE . 3.9 mt -63.85 -43.35 97.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -62.43 -44.48 96.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.406 ' CZ ' HD21 ' A' ' 204' ' ' LEU . 5.9 t80 -64.37 -50.47 67.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . 0.506 HG13 ' CE2' ' A' ' 164' ' ' PHE . 2.7 t -60.29 -44.9 96.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 165' ' ' VAL . 13.2 mt -61.49 -40.62 95.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -62.98 -51.25 67.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . 0.477 ' HB3' ' CD1' ' A' ' 204' ' ' LEU . 5.7 tpt180 -62.63 -35.16 78.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -52.13 -46.5 65.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.99 116.07 25.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 3.4 pt -117.66 136.47 54.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 229' ' ' ALA . . . . . 0.494 ' N ' ' CD ' ' A' ' 230' ' ' PRO . . . -57.39 -52.88 70.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 230' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 229' ' ' ALA . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 31.8 m-90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 9.7 t -131.85 140.43 38.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.405 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 12' ' ' THR . 18.4 Cg_endo -74.98 144.02 29.83 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.44 1.758 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.34 100.49 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.501 ' O ' ' CG1' ' A' ' 19' ' ' ILE . 0.4 OUTLIER -113.49 140.66 24.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -34.67 3.63 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 1.7 pttm -71.11 -47.79 56.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.424 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 12.1 mt -65.93 -43.31 88.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 15' ' ' GLU . 35.9 mt -58.68 -37.12 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.363 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.0 m -61.77 -39.67 92.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -48.8 73.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.423 HD22 ' CG ' ' A' ' 39' ' ' GLU . 1.5 tt -65.13 -37.93 89.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.462 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -66.69 -34.51 78.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.491 ' O ' ' CG ' ' A' ' 27' ' ' ARG . 2.7 m-20 -62.21 -33.09 73.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.494 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.1 m -71.31 -36.22 71.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.415 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.461 HG11 ' CG2' ' A' ' 36' ' ' THR . 68.8 t -65.03 -51.47 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 0.7 OUTLIER -56.74 -34.21 67.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.43 ' N ' ' HG3' ' A' ' 27' ' ' ARG . 28.1 p -87.21 -22.76 25.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.428 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 25' ' ' THR . 5.3 mmtm -95.68 9.64 39.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.64 126.01 0.02 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.433 ' CD2' HD22 ' A' ' 61' ' ' LEU . 3.9 mp -67.58 -34.88 77.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.63 2.28 56.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.285 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -92.36 161.54 32.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.507 ' O ' ' CG1' ' A' ' 35' ' ' ILE . 18.4 Cg_endo -75.0 98.41 1.16 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.491 1.785 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.507 ' CG1' ' O ' ' A' ' 34' ' ' PRO . 0.2 OUTLIER 163.64 -31.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.461 ' CG2' HG11 ' A' ' 26' ' ' VAL . 66.7 m -59.24 -47.81 83.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.385 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.424 ' CE ' ' HG3' ' A' ' 141' ' ' ARG . 16.8 mmt -64.58 -38.07 89.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.64 -52.62 43.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' CG ' HD22 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -61.25 -47.48 85.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 36' ' ' THR . 59.9 t -59.97 -45.76 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 45' ' ' SER . 18.6 mt-10 -67.5 -23.79 65.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.258 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.58 -55.39 33.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.432 ' CD1' ' CD2' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -72.51 -49.68 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.505 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 24.4 mtt -65.85 -10.69 40.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 111.029 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 41' ' ' GLU . 11.0 t -36.8 -33.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -107.34 162.67 18.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.011 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 149.68 37.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.463 HD12 ' CG2' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -150.35 173.01 14.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.7 mt -74.55 161.58 77.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.264 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -26.6 10.81 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.502 1.791 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.465 ' O ' ' OG1' ' A' ' 54' ' ' THR . 0.5 OUTLIER -67.95 -48.01 67.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.597 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.68 -31.09 72.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.463 ' CG2' HD12 ' A' ' 48' ' ' LEU . 2.0 t -54.27 -47.72 68.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 51' ' ' HIS . 76.7 p -67.0 -40.14 87.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -62.57 -42.9 99.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.475 HD13 ' CD1' ' A' ' 19' ' ' ILE . 3.9 tp -70.99 -44.47 65.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.562 ' HG2' ' CZ2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -63.77 -28.59 69.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 61' ' ' LEU . 2.7 tmt_? -71.3 -36.3 71.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.2 t -75.5 -48.1 31.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.462 HG12 ' CB ' ' A' ' 23' ' ' ALA . 8.5 mt -73.5 -44.41 53.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 57' ' ' MET . 0.1 OUTLIER -99.92 132.92 44.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.462 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -59.5 172.56 4.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.452 ' O ' ' CB ' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.04 -42.91 0.43 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.492 1.785 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.467 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -61.3 -54.52 52.32 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.0 6.73 3.22 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.509 1.794 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.452 ' CB ' ' O ' ' A' ' 63' ' ' PRO . 5.2 t80 -75.05 -45.67 40.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.5 -29.69 68.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.0 mp -67.09 -47.12 72.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.562 ' CZ2' ' HG2' ' A' ' 57' ' ' MET . 25.1 t90 -70.6 -43.46 69.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 108.023 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.419 ' HE1' ' CZ3' ' A' ' 73' ' ' TRP . 0.4 OUTLIER -59.27 -37.02 76.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -70.89 -46.22 62.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.93 -28.8 66.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.532 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 15.0 t90 -66.85 -44.59 80.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 108.006 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.61 -41.16 93.48 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.18 -47.07 79.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -58.6 -45.89 88.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.455 ' CD2' HD12 ' A' ' 106' ' ' LEU . 2.4 mt -60.7 -46.57 89.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -58.85 -36.69 74.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.46 -36.11 75.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.2 t -71.01 -34.72 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.469 HG13 ' CD1' ' A' ' 103' ' ' LEU . 29.4 mm -71.6 -45.6 66.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.65 -44.0 83.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.44 -45.64 80.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.521 ' HB3' ' CG ' ' A' ' 90' ' ' HIS . . . -68.09 -40.43 82.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.2 m -60.27 -38.39 83.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.413 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -75.07 -43.02 55.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.52 107.48 60.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.444 ' O ' ' CG ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.95 53.98 3.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 88' ' ' PRO . 34.6 mtp180 -160.78 26.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.521 ' CG ' ' HB3' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -78.28 145.15 67.97 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.621 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.406 ' HD2' ' ND1' ' A' ' 90' ' ' HIS . 18.5 Cg_endo -74.94 -21.95 15.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.469 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -73.95 -7.13 51.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -84.95 152.82 23.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.74 -96.23 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -96.26 -61.9 1.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.99 -2.22 11.73 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -96.24 0.13 50.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 150.75 43.31 0.02 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -125.02 -72.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 0.77 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 65.09 145.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.318 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.0 t -72.72 140.89 48.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -127.3 155.19 43.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.469 ' CD1' HG13 ' A' ' 81' ' ' ILE . 5.2 tp -63.36 -37.83 88.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.65 -42.59 99.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -46.43 89.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.455 HD12 ' CD2' ' A' ' 77' ' ' LEU . 6.0 mt -70.85 -21.58 62.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -61.04 -51.51 68.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.361 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.44 ' HA2' ' CE ' ' A' ' 113' ' ' MET . . . 108.51 18.37 9.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.8 tp -105.21 5.97 32.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.87 129.2 41.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -46.26 134.51 8.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.29 -18.59 57.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.44 ' CE ' ' HA2' ' A' ' 108' ' ' GLY . 36.2 mtp -101.18 -33.32 10.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t -70.62 124.61 27.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.24 3.08 65.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -146.6 101.4 4.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -44.92 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -76.49 -26.76 55.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -75.92 -42.5 25.02 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 121' ' ' ALA . 14.4 pt20 -66.29 -38.64 88.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.742 . . . . 0.0 110.338 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 120' ' ' GLN . . . -63.41 -39.51 94.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.21 -22.05 52.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.462 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -79.04 -42.21 27.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.4 mt -73.39 -169.87 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -118.22 157.31 49.32 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 108.24 2.67 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.26 -45.1 0.81 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.469 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 8.3 mt-10 -56.93 -37.89 72.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.52 -45.91 92.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.2 t -59.23 -39.8 79.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.71 86.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 6.4 mt -69.22 -38.92 78.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.42 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 5.9 m -64.59 -48.91 73.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.432 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.37 -48.14 76.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.2 m -60.36 -34.71 74.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.81 -43.12 76.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.505 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -65.7 -40.34 92.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -62.6 -36.88 84.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.479 ' HB3' ' CD1' ' A' ' 69' ' ' TRP . . . -68.42 -27.96 66.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -68.37 -50.26 54.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.132 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.424 ' HG3' ' CE ' ' A' ' 37' ' ' MET . 5.4 mtp180 -61.86 -25.07 67.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -72.51 -35.44 68.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.269 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 30.2 t -81.25 -43.52 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.35 -50.04 75.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 147' ' ' ALA . 6.2 mtt-85 -73.3 -44.93 58.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.1 tt 66.0 -75.04 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 145' ' ' ARG . . . -137.47 -174.78 3.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -82.17 121.06 78.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 141.99 27.42 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.807 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 151' ' ' GLY . . . -103.1 151.73 22.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 150' ' ' ALA . . . -37.46 108.44 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.441 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo -74.99 -46.93 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' TRP . . . . . 0.646 ' CZ3' ' CD1' ' A' ' 180' ' ' LEU . 27.2 p90 -51.9 -27.39 12.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 108.008 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.91 -32.66 73.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.4 -22.03 41.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.479 HG21 ' CE2' ' A' ' 167' ' ' PHE . 12.8 mt -82.99 120.71 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.616 ' C ' ' CE2' ' A' ' 167' ' ' PHE . 1.5 m -130.49 132.14 45.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.401 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . 0.644 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 0.1 OUTLIER -62.0 121.89 14.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -122.72 156.47 17.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.15 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.78 18.36 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.482 1.78 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 59.6 p -78.98 -23.39 44.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 0.0 110.04 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -113.93 135.64 53.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.39 133.44 55.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . 0.46 ' O ' ' CB ' ' A' ' 168' ' ' ALA . 1.9 t80 -55.85 -39.71 71.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 111.043 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.461 ' CG2' HD11 ' A' ' 223' ' ' LEU . 0.9 OUTLIER -70.99 -52.11 30.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.15 -49.0 75.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.644 ' CZ ' ' N ' ' A' ' 158' ' ' GLN . 5.2 t80 -68.29 -33.59 74.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.464 ' O ' HG12 ' A' ' 172' ' ' ILE . . . -61.95 -51.02 69.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . 0.535 ' HA ' HG12 ' A' ' 172' ' ' ILE . 75.3 m-20 -52.61 -42.6 64.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.243 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -56.82 -36.54 70.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.467 ' CD2' ' HB2' ' A' ' 153' ' ' TRP . 0.2 OUTLIER -69.06 -32.25 71.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . 0.535 HG12 ' HA ' ' A' ' 169' ' ' ASN . 2.1 mm -68.42 -43.67 83.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 176' ' ' GLU . 0.0 OUTLIER -67.27 -33.87 76.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.22 -52.87 16.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . 0.457 ' CG1' ' HG3' ' A' ' 185' ' ' ARG . 70.1 t -60.42 -49.17 85.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 173' ' ' LYS . 0.3 OUTLIER -64.98 -31.85 73.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -97.1 23.85 33.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 80.3 p -122.37 166.3 14.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.983 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -80.34 65.32 5.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.646 ' CD1' ' CZ3' ' A' ' 153' ' ' TRP . 15.2 mt -111.54 155.21 43.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 159.71 41.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.781 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 57.47 4.57 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 20.7 t -167.79 -41.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.038 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.497 ' O ' ' CG2' ' A' ' 188' ' ' VAL . . . -71.13 -11.35 60.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . 0.457 ' HG3' ' CG1' ' A' ' 175' ' ' VAL . 0.6 OUTLIER -80.88 65.19 5.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 110.346 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.557 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 179.09 -59.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' PRO . . . . . 0.557 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.1 Cg_endo -75.04 -28.53 9.02 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 184' ' ' ALA . 66.5 t -67.44 -38.9 81.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . 0.486 HG23 ' CD1' ' A' ' 172' ' ' ILE . 7.7 mt -67.5 -48.61 76.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' ILE . . . . . 0.475 ' CD1' ' N ' ' A' ' 214' ' ' THR . 63.8 mt -66.02 -35.88 76.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.175 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -40.15 89.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 192' ' ' CYS . . . . . 0.402 ' HA ' ' HB2' ' A' ' 195' ' ' GLN . 24.0 m -54.24 -43.65 71.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.316 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 193' ' ' PHE . . . . . 0.431 ' O ' ' OG ' ' A' ' 197' ' ' SER . 17.4 m-30 -59.4 -50.35 74.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 194' ' ' ARG . . . . . 0.475 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 0.0 OUTLIER -87.18 19.71 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . 0.402 ' HB2' ' HA ' ' A' ' 192' ' ' CYS . 3.3 mt-30 -106.39 -32.31 8.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.253 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.57 73.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 197' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 193' ' ' PHE . 38.3 p -142.8 163.1 33.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 198' ' ' GLN . . . . . 0.41 ' O ' ' CB ' ' A' ' 202' ' ' GLN . 2.4 mp0 -43.79 167.07 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -37.35 2.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -49.14 70.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 8.4 mm -68.99 -35.99 71.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' GLN . . . . . 0.421 ' NE2' ' HB2' ' A' ' 194' ' ' ARG . 9.7 tp60 -70.43 -48.53 55.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -61.41 -27.86 68.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . 0.569 HD21 ' CE2' ' A' ' 221' ' ' TYR . 0.2 OUTLIER -67.28 -51.09 57.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 194' ' ' ARG . 0.5 OUTLIER -65.54 -44.09 94.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -62.86 -33.26 74.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -91.59 -5.57 53.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 208' ' ' ALA . . . . . . . . . . . . . . . -64.41 155.65 79.67 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . 0.459 ' HD2' ' CD1' ' A' ' 212' ' ' LEU . 18.3 Cg_endo -74.99 146.91 33.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 1.5 p -66.12 -9.73 34.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 211' ' ' THR . . . . . 0.432 ' CG2' ' CD2' ' A' ' 212' ' ' LEU . 14.9 t -72.74 -12.28 60.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.432 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 212' ' ' LEU . . . . . 0.55 ' O ' ' CG2' ' A' ' 213' ' ' THR . 1.0 OUTLIER -111.36 135.27 52.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 213' ' ' THR . . . . . 0.55 ' CG2' ' O ' ' A' ' 212' ' ' LEU . 0.7 OUTLIER -167.13 30.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.38 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 214' ' ' THR . . . . . 0.475 ' N ' ' CD1' ' A' ' 190' ' ' ILE . 14.6 p -129.19 154.58 80.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 55.02 3.82 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.46 1.768 . . . . 0.0 111.041 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -161.3 -51.23 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 217' ' ' GLU . 0.8 OUTLIER -73.67 -34.27 64.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 110.323 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 218' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 212' ' ' LEU . 1.1 mp -63.09 -44.83 99.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 219' ' ' ILE . . . . . 0.432 ' CG2' HG22 ' A' ' 165' ' ' VAL . 4.4 mt -73.75 -45.27 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.36 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -56.7 -38.04 71.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.569 ' CE2' HD21 ' A' ' 204' ' ' LEU . 7.1 t80 -74.23 -45.46 47.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 2.6 t -59.75 -49.47 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.461 HD11 ' CG2' ' A' ' 165' ' ' VAL . 78.4 mt -61.53 -42.53 98.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.58 -31.02 71.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . 0.464 ' CD ' HD13 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -79.68 -37.65 35.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -51.54 -55.99 15.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 1.5 mttt 64.68 147.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 2.6 mp -96.67 -59.51 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . -82.36 154.75 69.26 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.2 0 O-C-N 124.487 1.782 . . . . 0.0 110.986 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 13.8 m95 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.7 m -132.13 105.37 13.66 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.2 31.1 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.432 1.754 . . . . 0.0 111.05 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.516 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -86.11 100.29 12.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.539 ' OE2' ' CD1' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -135.36 158.54 74.31 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.243 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.78 2.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -58.61 -46.47 86.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.539 ' CD1' ' OE2' ' A' ' 15' ' ' GLU . 56.1 mt -70.31 -48.28 57.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.489 HG22 ' CD1' ' A' ' 56' ' ' LEU . 46.1 mt -57.62 -41.01 78.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -69.38 -38.08 77.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.397 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -64.69 -49.43 70.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.352 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.57 -42.71 82.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.436 ' CB ' HG11 ' A' ' 59' ' ' VAL . . . -59.87 -34.62 73.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -62.78 -44.71 95.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 29' ' ' LYS . 1.3 m -62.44 -37.42 85.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.454 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.459 HG13 ' CG2' ' A' ' 36' ' ' THR . 55.9 t -58.29 -41.64 81.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.1 ttm-85 -67.03 -48.8 67.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.5 p -69.65 -21.28 63.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HB3' ' CG2' ' A' ' 35' ' ' ILE . 17.8 mmtt -94.76 -13.95 25.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.87 122.16 3.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.553 HD22 ' CE1' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -66.72 -23.9 66.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.771 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.39 2.35 56.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.78 165.47 22.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.968 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -40.04 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.502 1.79 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -47.38 -31.6 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.459 ' CG2' HG13 ' A' ' 26' ' ' VAL . 1.2 m -62.57 -49.09 76.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.389 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -40.11 95.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.05 -45.44 73.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.444 ' OE2' ' CG2' ' A' ' 25' ' ' THR . 11.0 mt-10 -61.68 -47.86 83.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.495 ' CG1' ' SD ' ' A' ' 44' ' ' MET . 35.4 t -59.95 -44.98 95.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.5 mt-10 -66.97 -23.67 65.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.55 -55.49 26.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.541 ' CD1' ' CD2' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -72.87 -42.58 63.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.513 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 29.6 mtt -71.89 -10.29 59.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 41' ' ' GLU . 94.3 p -37.42 -31.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -108.1 165.95 11.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 149.43 36.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.798 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.473 HD11 ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -150.33 165.61 32.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.478 HD23 ' CD2' ' A' ' 129' ' ' LEU . 10.5 mt -67.67 163.33 49.59 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.02 -31.19 6.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.79 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.445 ' O ' ' OG1' ' A' ' 54' ' ' THR . 2.5 t60 -67.87 -42.37 81.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.608 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.52 -31.15 72.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.473 ' CG2' HD11 ' A' ' 48' ' ' LEU . 55.3 t -59.36 -47.61 89.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.505 ' CG2' ' CE ' ' A' ' 70' ' ' MET . 16.1 p -66.51 -38.81 88.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -43.62 90.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.541 ' CD2' ' CD1' ' A' ' 43' ' ' LEU . 6.6 tp -66.32 -50.66 62.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.518 ' HG3' ' CE2' ' A' ' 69' ' ' TRP . 11.6 mmt -57.09 -42.33 80.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 111.045 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 61' ' ' LEU . 3.5 ttt180 -56.3 -36.2 68.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.436 HG11 ' CB ' ' A' ' 23' ' ' ALA . 53.5 t -75.15 -46.32 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.547 HG23 ' CZ ' ' A' ' 140' ' ' PHE . 35.6 mt -63.71 -44.43 98.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 57' ' ' MET . 0.5 OUTLIER -122.12 131.74 54.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.585 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -50.14 -176.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.451 1.095 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.405 ' HA ' ' HB3' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.97 -24.82 12.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.539 1.81 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.506 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -64.64 -56.39 22.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.585 ' HD2' ' C ' ' A' ' 62' ' ' GLY . 18.4 Cg_endo -74.97 -22.18 15.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.548 ' CZ ' ' SD ' ' A' ' 70' ' ' MET . 3.4 t80 -54.75 -45.06 74.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.66 -30.14 71.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 143' ' ' VAL . 8.8 mp -70.94 -37.48 72.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.721 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 7.8 t90 -71.27 -34.44 70.69 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.548 ' SD ' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -65.86 -37.45 86.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -67.15 -47.35 71.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.17 -43.44 82.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.721 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 12.8 t90 -54.52 -38.61 66.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 108.003 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.67 -44.63 97.65 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.537 1.148 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.6 t -68.58 -46.99 79.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -57.53 -46.26 84.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.564 ' CD2' ' CD1' ' A' ' 106' ' ' LEU . 4.4 mt -60.53 -45.81 92.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.431 ' N ' HD12 ' A' ' 103' ' ' LEU . 58.1 mt-30 -62.61 -29.23 70.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.405 ' O ' ' CB ' ' A' ' 83' ' ' ALA . 0.8 OUTLIER -64.99 -34.83 79.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.381 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 37.6 t -68.11 -50.71 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.458 HG13 ' CG2' ' A' ' 101' ' ' THR . 1.6 mp -63.17 -49.95 81.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.55 -39.51 84.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.446 ' CB ' ' CD2' ' A' ' 90' ' ' HIS . . . -58.7 -48.18 81.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 90' ' ' HIS . . . -65.74 -40.29 91.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.5 m -61.12 -39.82 91.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -74.97 -43.35 54.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -132.9 120.82 16.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.89 3.77 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 111.017 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.03 6.36 6.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.474 ' HB2' ' CB ' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -85.26 134.11 41.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.613 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.462 ' O ' ' NH2' ' A' ' 125' ' ' ARG . 18.1 Cg_endo -75.0 -21.09 16.21 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.9 -16.1 26.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.45 ' O ' ' OD1' ' A' ' 93' ' ' ASN . 46.3 p-10 -86.38 155.22 20.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.81 -126.55 0.09 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -170.16 50.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.751 . . . . 0.0 110.32 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -115.57 -167.27 15.11 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 97' ' ' ARG . 14.1 ttm105 -86.13 0.17 54.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 179.41 47.71 0.08 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.09 -76.19 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 64.34 142.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.458 ' CG2' HG13 ' A' ' 81' ' ' ILE . 14.4 t -71.26 164.45 25.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.361 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -144.35 151.05 38.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 78' ' ' GLN . 6.1 tp -63.88 -45.93 87.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.508 ' HA ' ' CG ' ' A' ' 107' ' ' LYS . 0.2 OUTLIER -55.26 -37.63 67.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -36.34 61.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.564 ' CD1' ' CD2' ' A' ' 77' ' ' LEU . 69.8 mt -87.65 -26.17 23.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.508 ' CG ' ' HA ' ' A' ' 104' ' ' ASP . 9.0 mmtt -50.05 -43.81 51.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 101.78 -1.91 52.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.438 1.087 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.413 HD13 ' CG1' ' A' ' 114' ' ' VAL . 0.2 OUTLIER -81.71 3.96 23.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 0.796 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.469 ' HB2' ' CE ' ' A' ' 113' ' ' MET . . . -58.13 132.98 55.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.38 123.77 9.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.088 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.08 -17.8 58.62 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.54 1.15 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.477 ' HG3' ' CD1' ' A' ' 123' ' ' LEU . 26.0 mtp -101.67 -5.15 25.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 0.742 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.413 ' CG1' HD13 ' A' ' 109' ' ' LEU . 2.1 t -96.18 128.95 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 76.93 3.16 80.06 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.472 1.108 . . . . 0.0 111.03 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -129.3 110.98 18.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -80.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -54.98 -33.45 62.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.92 -42.09 95.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -62.53 -44.91 95.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 124' ' ' LEU . . . -65.62 -28.96 69.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.94 -14.34 59.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' A' ' 113' ' ' MET . 0.8 OUTLIER -89.04 -20.79 23.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.442 ' CD2' ' SD ' ' A' ' 113' ' ' MET . 0.2 OUTLIER -124.82 127.42 47.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.462 ' NH2' ' O ' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -55.73 159.74 4.86 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.243 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 125' ' ' ARG . 18.4 Cg_endo -74.99 107.85 2.58 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.488 1.783 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 171.42 -45.03 0.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.22 -31.8 72.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.288 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.478 ' CD2' HD23 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -60.71 -43.5 97.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.43 -39.8 80.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.36 96.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 13.5 mt -69.41 -38.67 77.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.47 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 32.0 m -67.89 -39.7 83.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.417 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.6 -46.1 70.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.1 m -66.91 -33.73 76.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.71 -42.62 97.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.513 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -69.49 -34.02 73.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -69.66 -41.3 75.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.9 -33.54 74.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.553 ' CE1' HD22 ' A' ' 31' ' ' LEU . 8.0 t80 -64.52 -60.57 2.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -52.84 -24.9 9.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -69.91 -40.21 75.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 4.9 t -72.35 -35.89 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -70.12 -49.92 45.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.4 -7.12 53.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.351 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -40.18 -70.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -177.02 -47.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -68.1 114.19 19.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 176.14 10.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.78 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -103.5 151.86 22.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.42 ' HA3' ' CZ3' ' A' ' 153' ' ' TRP . . . -47.38 116.32 2.6 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 155' ' ' ASP . 18.2 Cg_endo -75.04 -20.06 17.15 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' TRP . . . . . 0.603 ' CZ3' ' CD1' ' A' ' 180' ' ' LEU . 5.6 p90 -51.6 -31.92 26.81 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.66 -32.77 73.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 152' ' ' PRO . 0.5 OUTLIER -79.72 -21.79 44.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.528 HG23 ' CE1' ' A' ' 167' ' ' PHE . 17.2 mt -82.1 120.85 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.601 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 21.8 p -125.22 145.01 50.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . 0.582 ' CG ' ' CD2' ' A' ' 167' ' ' PHE . 0.1 OUTLIER -85.96 129.44 34.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -126.1 166.25 18.95 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -27.51 9.9 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.447 1.762 . . . . 0.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.35 -23.11 60.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.586 1.179 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -108.52 135.12 50.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.94 135.08 56.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -56.52 -49.22 75.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.449 ' CG2' HG21 ' A' ' 219' ' ' ILE . 0.5 OUTLIER -66.92 -42.43 88.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -58.14 -47.9 81.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.601 ' CE1' ' C ' ' A' ' 157' ' ' THR . 12.9 t80 -67.34 -42.74 83.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 193' ' ' PHE . . . -55.47 -34.12 64.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -67.28 -51.44 52.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -37.39 77.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.566 HD13 ' CE2' ' A' ' 167' ' ' PHE . 3.8 tt -70.28 -45.62 65.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . 0.447 ' CG1' HG22 ' A' ' 189' ' ' ILE . 37.4 mt -59.41 -49.25 84.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -37.72 77.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . 0.514 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -65.59 -51.78 57.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . 0.449 HG23 ' CG1' ' A' ' 189' ' ' ILE . 48.5 t -57.27 -47.91 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -54.32 -36.45 63.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.244 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -99.94 32.62 7.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 60.0 p -124.67 165.86 17.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.767 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 36.0 p-10 -84.58 85.66 7.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.603 ' CD1' ' CZ3' ' A' ' 153' ' ' TRP . 13.0 mt -130.75 152.4 80.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 162.18 37.61 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 72.7 4.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.29 -33.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -80.65 -11.71 59.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -84.21 70.05 10.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.512 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 175.46 -57.39 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' PRO . . . . . 0.512 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.4 Cg_endo -74.98 -26.91 10.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.455 1.766 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.401 ' O ' ' SG ' ' A' ' 192' ' ' CYS . 72.9 t -67.94 -40.29 83.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . 0.449 ' CG1' HG23 ' A' ' 175' ' ' VAL . 23.7 mt -66.96 -48.23 80.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' ILE . . . . . 0.496 ' CD1' ' C ' ' A' ' 213' ' ' THR . 68.6 mt -65.65 -43.01 93.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 195' ' ' GLN . 50.6 t0 -63.27 -38.1 89.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 192' ' ' CYS . . . . . 0.421 ' HA ' ' HB2' ' A' ' 195' ' ' GLN . 12.4 m -53.32 -46.21 69.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 108.33 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 193' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 168' ' ' ALA . 11.7 m-30 -57.74 -48.92 78.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.91 16.73 4.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . 0.421 ' HB2' ' HA ' ' A' ' 192' ' ' CYS . 0.0 OUTLIER -96.82 -48.21 5.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 110.334 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm -156.01 67.56 0.61 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 197' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 198' ' ' GLN . 2.3 m -141.95 165.31 27.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 198' ' ' GLN . . . . . 0.431 ' HG2' ' HB ' ' A' ' 201' ' ' ILE . 0.0 OUTLIER -36.66 154.2 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -34.2 4.04 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.519 1.8 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.99 -50.73 72.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.473 ' CD1' HG11 ' A' ' 222' ' ' VAL . 3.9 mm -69.33 -45.57 78.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -58.94 -40.98 86.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -65.27 -38.85 91.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . 0.576 ' CD2' ' CZ ' ' A' ' 221' ' ' TYR . 0.5 OUTLIER -63.78 -49.07 74.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -63.92 -39.68 86.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -63.83 -33.85 76.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -89.96 4.91 48.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 208' ' ' ALA . . . . . . . . . . . . . . . -62.39 155.53 66.58 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . 0.461 ' HG2' ' CD1' ' A' ' 212' ' ' LEU . 18.3 Cg_endo -75.04 155.48 42.75 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.435 1.755 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.18 23.93 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.966 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 2.5 m -111.6 -3.15 15.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 212' ' ' LEU . . . . . 0.49 ' O ' ' CG2' ' A' ' 213' ' ' THR . 0.4 OUTLIER -148.2 140.33 24.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 213' ' ' THR . . . . . 0.496 ' C ' ' CD1' ' A' ' 190' ' ' ILE . 2.3 p -160.09 45.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.43 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 214' ' ' THR . . . . . . . . . . . . . 82.6 p -119.44 157.49 51.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.406 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 55.12 3.83 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.502 1.79 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -158.01 -57.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -73.96 -33.17 63.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 218' ' ' ILE . . . . . 0.45 ' CD1' HD13 ' A' ' 212' ' ' LEU . 1.3 mp -64.95 -38.6 83.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 219' ' ' ILE . . . . . 0.449 HG21 ' CG2' ' A' ' 165' ' ' VAL . 6.4 mt -75.56 -50.35 24.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.43 -37.19 69.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.576 ' CZ ' ' CD2' ' A' ' 204' ' ' LEU . 0.4 OUTLIER -65.86 -50.07 65.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 111.0 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . 0.473 HG11 ' CD1' ' A' ' 201' ' ' ILE . 12.2 t -62.21 -42.81 96.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.22 -35.89 82.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -71.6 -34.32 69.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.352 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -40.64 62.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.238 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -52.41 -48.85 65.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 1.5 mttt 64.11 150.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 228' ' ' ILE . . . . . 0.51 ' O ' ' CG2' ' A' ' 228' ' ' ILE . 0.2 OUTLIER -94.66 106.76 18.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 229' ' ' ALA . . . . . 0.492 ' N ' ' CD ' ' A' ' 230' ' ' PRO . . . -70.85 -53.13 9.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 230' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 229' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.498 1.788 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.9 p -132.19 105.17 13.58 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 135.52 19.29 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.798 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.47 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.44 101.55 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -118.42 135.37 23.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -43.38 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.46 1.768 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.503 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -58.27 -35.94 72.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.503 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 62.8 mt -73.4 -47.87 38.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.6 mt -59.92 -36.0 64.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 m -65.57 -43.1 90.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.42 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -67.18 -48.9 66.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.462 ' CD2' ' HG2' ' A' ' 39' ' ' GLU . 0.6 OUTLIER -63.08 -46.83 85.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.425 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -60.28 -31.97 70.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -61.64 -38.26 87.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 29' ' ' LYS . 1.1 m -66.47 -37.51 85.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.478 ' CG2' HG23 ' A' ' 36' ' ' THR . 7.0 t -56.74 -45.41 82.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -48.49 81.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.7 p -67.96 -32.02 72.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 33' ' ' SER . 22.9 mmtm -82.62 -14.12 55.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 81.72 127.18 0.91 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -24.94 66.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.05 -5.2 58.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -102.44 169.41 7.59 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.025 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.451 ' O ' ' HB ' ' A' ' 35' ' ' ILE . 18.5 Cg_endo -75.0 -169.99 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.49 1.784 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.451 ' HB ' ' O ' ' A' ' 34' ' ' PRO . 0.2 OUTLIER 77.68 -41.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.529 ' CG2' ' CZ ' ' A' ' 140' ' ' PHE . 28.0 m -56.71 -42.64 79.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.425 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -43.6 98.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.42 -41.11 73.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.462 ' HG2' ' CD2' ' A' ' 22' ' ' LEU . 3.2 mt-10 -59.91 -44.95 93.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.511 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 96.3 t -66.88 -49.02 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.12 -23.17 61.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.45 -55.91 7.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 1.4 pp -68.21 -47.55 67.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.503 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -73.92 -9.76 58.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 44' ' ' MET . 8.8 t -35.68 -39.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 44' ' ' MET . 0.3 OUTLIER -98.5 164.01 17.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.975 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 150.16 37.56 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -154.24 165.97 34.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.432 ' N ' HD23 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -67.84 165.11 34.31 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -29.68 8.04 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.437 1.756 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.458 ' O ' ' OG1' ' A' ' 54' ' ' THR . 12.2 t60 -67.89 -40.43 83.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.598 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 0.7 OUTLIER -65.09 -31.48 72.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.505 HG12 ' CH2' ' A' ' 69' ' ' TRP . 17.0 t -60.95 -46.98 95.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 51' ' ' HIS . 33.6 p -66.74 -41.5 87.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.375 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.432 ' C ' ' ND2' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -66.02 -41.93 90.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.471 HD23 ' CD1' ' A' ' 43' ' ' LEU . 4.3 tp -66.89 -50.98 60.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.524 ' HG3' ' CE2' ' A' ' 69' ' ' TRP . 12.8 mmt -57.32 -43.43 83.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.13 -36.66 65.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.54 -34.31 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.425 HG12 ' CB ' ' A' ' 23' ' ' ALA . 40.8 mt -78.86 -44.32 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 57' ' ' MET . 0.1 OUTLIER -124.79 134.82 52.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.493 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -61.46 -162.5 0.19 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -21.38 16.09 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.538 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . . . -71.5 -58.45 3.73 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.538 ' HD3' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.99 5.34 4.04 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 0.8 OUTLIER -77.6 -51.31 10.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.956 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.18 -31.39 68.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.421 ' HB3' ' CG2' ' A' ' 143' ' ' VAL . 7.5 mp -65.59 -47.98 73.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.746 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 49.6 t90 -71.0 -38.99 72.68 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -43.39 94.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -65.05 -45.17 86.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.03 -28.96 65.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.746 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 12.9 t90 -71.2 -41.51 70.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 107.992 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.65 -42.91 99.47 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.5 t -68.26 -46.93 80.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.413 ' NE2' ' HA ' ' A' ' 76' ' ' GLN . 1.6 mp0 -58.52 -46.47 86.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.449 ' CD2' HD11 ' A' ' 106' ' ' LEU . 3.2 mt -63.09 -45.85 90.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -58.62 -30.23 67.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.408 ' O ' ' CB ' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -67.72 -36.28 80.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.1 t -71.47 -39.26 70.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.486 ' HA ' ' CG2' ' A' ' 101' ' ' THR . 47.5 mm -64.39 -50.2 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.49 -34.31 76.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 79' ' ' THR . . . -65.66 -35.61 81.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.461 ' HA ' ' CB ' ' A' ' 90' ' ' HIS . . . -67.82 -46.16 72.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -35.58 81.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.403 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -76.06 -43.55 43.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -111.02 116.66 51.38 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -1.13 10.81 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.521 1.801 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -99.44 24.3 8.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.461 ' CB ' ' HA ' ' A' ' 84' ' ' ALA . 1.0 OUTLIER -92.83 128.3 44.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.602 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.45 14.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.415 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -62.18 -23.67 66.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.424 ' ND2' ' HB3' ' A' ' 90' ' ' HIS . 23.1 p30 -104.48 154.64 19.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 131.51 109.26 1.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.542 1.151 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -166.09 -67.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.763 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -92.56 -159.34 35.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.4 0.09 30.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 110.265 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -103.27 -32.43 4.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 59.31 60.18 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.744 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.7 128.43 42.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.486 ' CG2' ' HA ' ' A' ' 81' ' ' ILE . 5.5 t -70.9 170.11 13.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.8 137.69 29.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.465 ' CD1' HG13 ' A' ' 81' ' ' ILE . 7.0 tp -56.5 -35.84 68.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -65.79 -43.65 88.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? -59.99 -46.82 88.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.449 HD11 ' CD2' ' A' ' 77' ' ' LEU . 9.7 mt -71.22 -23.87 62.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -51.9 68.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.467 ' HA2' ' CE ' ' A' ' 113' ' ' MET . . . 114.08 16.77 7.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -100.45 4.83 44.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.38 147.61 30.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -59.24 122.66 14.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.262 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.71 -5.1 84.95 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.543 1.152 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.482 ' HA ' ' CB ' ' A' ' 120' ' ' GLN . 1.3 ttt -86.83 -31.81 20.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.76 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -98.22 136.18 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.69 3.38 64.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -153.67 106.97 2.53 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.465 0.744 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.417 ' O ' ' HG2' ' A' ' 120' ' ' GLN . 18.2 Cg_endo -75.01 -49.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.449 1.762 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -77.83 -27.92 50.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.354 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -74.63 -43.19 30.22 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.473 1.108 . . . . 0.0 111.067 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.482 ' CB ' ' HA ' ' A' ' 113' ' ' MET . 6.7 pt20 -66.48 -44.41 82.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 0.725 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' A' ' 120' ' ' GLN . . . -57.79 -36.02 71.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.42 -18.11 57.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.491 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 6.9 tt -80.12 -16.1 55.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' A' ' 121' ' ' ALA . 0.1 OUTLIER -127.88 127.1 42.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.67 157.16 1.99 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 108.68 2.77 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.552 1.817 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.25 -46.73 0.3 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.577 1.173 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.415 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 12.4 mt-10 -58.71 -32.58 69.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.29 -47.04 86.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 64.0 t -58.81 -39.63 77.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.89 -41.3 97.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 5.3 mt -69.18 -38.53 78.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 87.8 m -67.03 -41.85 85.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.38 -48.32 61.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.2 m -63.03 -34.05 76.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 110.042 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.78 -43.08 89.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -36.1 83.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.125 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -63.36 -37.36 86.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.536 ' HB2' ' CD1' ' A' ' 69' ' ' TRP . . . -67.61 -29.2 68.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.071 . . . . 0.0 109.355 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.529 ' CZ ' ' CG2' ' A' ' 36' ' ' THR . 2.2 t80 -66.28 -47.97 71.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -63.56 -25.45 68.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -71.48 -42.09 68.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.421 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 31.2 t -69.14 -43.43 81.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.06 -19.96 61.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -34.88 70.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -40.6 -89.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.44 100.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.07 138.65 92.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 170.57 20.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.496 1.788 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -103.78 145.29 30.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 161.1 74.71 0.02 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 155' ' ' ASP . 18.3 Cg_endo -75.04 -46.97 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.432 1.754 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' TRP . . . . . 0.595 ' CZ3' ' CD1' ' A' ' 180' ' ' LEU . 3.2 p90 -51.95 -28.97 18.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 108.022 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.23 -32.96 74.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 152' ' ' PRO . 1.3 p30 -82.47 -21.05 35.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.579 HG22 ' CZ ' ' A' ' 167' ' ' PHE . 40.4 mt -76.37 120.8 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.456 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 3.2 m -120.62 130.43 54.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.442 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . 0.575 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 27.9 tp60 -70.39 130.3 41.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -122.7 154.05 16.97 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -17.75 19.25 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.8 -22.17 31.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.67 135.23 44.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.72 138.88 55.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 110.026 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . 0.46 ' CE2' HG21 ' A' ' 219' ' ' ILE . 0.8 OUTLIER -59.74 -39.1 83.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.452 HG23 ' CG2' ' A' ' 219' ' ' ILE . 1.7 t -71.26 -48.5 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.33 -43.32 78.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.579 ' CZ ' HG22 ' A' ' 156' ' ' ILE . 90.7 t80 -69.7 -34.98 74.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -61.63 -43.05 99.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -61.0 -46.53 90.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 61.6 mtt-85 -59.78 -37.34 78.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.573 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.4 OUTLIER -70.44 -47.21 61.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 45.1 mt -59.39 -41.5 84.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -64.31 -36.6 84.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . 0.462 ' CB ' HD11 ' A' ' 156' ' ' ILE . . . -68.83 -52.98 24.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . . . . . . . . . 56.0 t -57.15 -48.16 82.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -53.02 -34.93 58.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -107.45 34.55 5.6 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.477 1.11 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 52.9 p -123.8 166.18 16.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.776 . . . . 0.0 110.015 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.81 87.69 7.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.595 ' CD1' ' CZ3' ' A' ' 153' ' ' TRP . 18.1 mt -130.42 154.52 81.58 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 164.78 32.63 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.789 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . 0.471 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.5 Cg_endo -74.97 79.0 2.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 0.0 111.048 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.6 OUTLIER 161.6 -27.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.401 ' C ' ' HD2' ' A' ' 187' ' ' PRO . . . -80.61 -11.6 59.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -85.41 70.17 10.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.5 ' CB ' ' HD3' ' A' ' 187' ' ' PRO . . . 173.28 -56.66 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' PRO . . . . . 0.5 ' HD3' ' CB ' ' A' ' 186' ' ' ALA . 18.1 Cg_endo -75.04 -32.03 5.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 30.6 t -65.03 -42.44 94.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' ILE . . . . . 0.565 HG21 ' CZ ' ' A' ' 193' ' ' PHE . 42.5 mt -68.15 -45.23 83.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' ILE . . . . . 0.472 ' CD1' ' N ' ' A' ' 214' ' ' THR . 71.2 mt -63.57 -45.21 98.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 195' ' ' GLN . 36.6 t70 -59.75 -37.41 78.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 192' ' ' CYS . . . . . 0.45 ' HB3' ' CD1' ' A' ' 171' ' ' LEU . 55.7 m -56.99 -40.97 77.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 108.312 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 193' ' ' PHE . . . . . 0.565 ' CZ ' HG21 ' A' ' 189' ' ' ILE . 9.1 m-30 -64.98 -27.14 68.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 194' ' ' ARG . . . . . 0.515 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 0.0 OUTLIER -117.79 27.7 8.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 191' ' ' ASP . 4.1 tm0? -119.59 -40.98 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 196' ' ' LYS . . . . . 0.446 ' CD ' HG21 ' A' ' 157' ' ' THR . 0.2 OUTLIER -115.23 -50.36 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 197' ' ' SER . . . . . 0.468 ' CB ' ' HG2' ' A' ' 158' ' ' GLN . 0.7 OUTLIER -37.39 155.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.449 1.093 . . . . 0.0 109.984 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 198' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 197' ' ' SER . 1.2 mp0 -45.19 170.45 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 199' ' ' PRO . . . . . 0.429 ' O ' ' HG3' ' A' ' 202' ' ' GLN . 18.3 Cg_endo -75.02 -32.47 5.33 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -41.37 95.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 7.2 mm -73.44 -46.08 50.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' GLN . . . . . 0.563 ' HG3' ' N ' ' A' ' 203' ' ' GLN . 0.0 OUTLIER -62.24 -36.15 81.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 203' ' ' GLN . . . . . 0.563 ' N ' ' HG3' ' A' ' 202' ' ' GLN . 3.7 mm100 -64.57 -34.59 78.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . 0.438 HD21 ' CE2' ' A' ' 221' ' ' TYR . 0.3 OUTLIER -64.93 -49.96 68.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.515 ' CG2' ' HB3' ' A' ' 194' ' ' ARG . 0.3 OUTLIER -63.51 -46.36 95.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 206' ' ' ARG . . . . . 0.431 ' NH1' ' OE1' ' A' ' 203' ' ' GLN . 0.0 OUTLIER -61.6 -33.51 74.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -88.12 -6.17 58.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 208' ' ' ALA . . . . . 0.441 ' HA ' ' CZ ' ' A' ' 221' ' ' TYR . . . -61.78 159.74 32.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . 0.457 ' HD2' ' CD1' ' A' ' 212' ' ' LEU . 18.2 Cg_endo -74.95 148.59 35.74 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -8.45 31.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.977 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 211' ' ' THR . . . . . 0.526 ' CG2' ' CD2' ' A' ' 212' ' ' LEU . 13.0 t -73.97 -13.23 60.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 212' ' ' LEU . . . . . 0.532 ' O ' ' CG2' ' A' ' 213' ' ' THR . 0.6 OUTLIER -112.62 133.04 54.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 213' ' ' THR . . . . . 0.532 ' CG2' ' O ' ' A' ' 212' ' ' LEU . 1.1 p -163.27 34.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.439 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 214' ' ' THR . . . . . 0.472 ' N ' ' CD1' ' A' ' 190' ' ' ILE . 1.8 p -129.89 155.4 80.59 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.42 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.09 3.85 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.475 1.776 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -162.72 -61.53 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.534 1.147 . . . . 0.0 111.018 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' A' ' 217' ' ' GLU . 2.7 mp0 -61.97 -33.24 73.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 218' ' ' ILE . . . . . 0.467 HG21 ' CG1' ' A' ' 205' ' ' ILE . 1.1 mp -62.15 -42.42 95.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 219' ' ' ILE . . . . . 0.46 HG21 ' CE2' ' A' ' 164' ' ' PHE . 3.9 mt -75.49 -48.74 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.27 -34.71 64.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.441 ' CZ ' ' HA ' ' A' ' 208' ' ' ALA . 11.4 t80 -74.26 -46.07 43.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 4.0 t -60.61 -42.3 91.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.427 ' CD1' HG21 ' A' ' 165' ' ' VAL . 93.6 mt -67.12 -36.49 82.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.587 1.18 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.99 -38.16 85.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.36 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 225' ' ' ARG . . . . . 0.414 ' CD ' HD22 ' A' ' 204' ' ' LEU . 0.8 OUTLIER -75.83 -36.89 59.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -52.67 -56.0 18.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -77.12 143.52 39.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 228' ' ' ILE . . . . . 0.449 ' O ' ' CB ' ' A' ' 229' ' ' ALA . 2.0 mp 64.14 162.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 229' ' ' ALA . . . . . 0.48 ' N ' ' CD ' ' A' ' 230' ' ' PRO . . . 167.04 -53.99 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 230' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 229' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.752 ' CG ' HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 20' ' ' THR . 18.2 Cg_endo -74.99 -23.68 13.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.487 1.783 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 58.8 pttt -57.4 -44.89 84.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.752 HD12 ' CG ' ' A' ' 15' ' ' GLU . 34.2 mt -65.53 -47.79 74.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.528 HG22 HG11 ' A' ' 59' ' ' VAL . 14.1 mt -63.5 -35.68 73.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 16' ' ' PRO . 3.3 m -61.45 -42.96 99.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.431 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.489 ' CG ' ' N ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.59 -42.75 98.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.546 HD13 ' HB3' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -67.2 -45.5 76.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.417 ' HB2' HG12 ' A' ' 60' ' ' ILE . . . -63.92 -31.24 72.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.97 ' O ' HG23 ' A' ' 28' ' ' THR . 5.5 t70 -60.8 -42.36 97.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.506 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.9 m -65.59 -38.05 88.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.404 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.894 ' CG1' HG23 ' A' ' 36' ' ' THR . 52.5 t -60.53 -49.08 85.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -45.72 91.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.97 HG23 ' O ' ' A' ' 24' ' ' ASP . 70.4 p -63.99 -30.37 71.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.585 ' CB ' HG21 ' A' ' 35' ' ' ILE . 12.9 mmtt -88.52 -14.36 37.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 102.65 127.25 6.05 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.857 HD22 HG12 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -67.32 -30.12 69.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 109.306 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.493 ' CZ ' ' O ' ' A' ' 144' ' ' ALA . 3.8 mtt-85 -89.01 2.19 54.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.72 163.57 43.39 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.974 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.431 ' C ' ' N ' ' A' ' 36' ' ' THR . 18.4 Cg_endo -74.98 -38.23 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.807 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.585 HG21 ' CB ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -45.25 -26.18 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.894 HG23 ' CG1' ' A' ' 26' ' ' VAL . 87.6 m -58.31 -49.19 78.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.378 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.576 ' SD ' HD23 ' A' ' 137' ' ' LEU . 18.2 mmt -64.39 -32.55 74.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.06 -52.38 24.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.539 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -62.14 -47.47 84.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 36' ' ' THR . 56.3 t -60.38 -44.11 95.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 45' ' ' SER . 37.6 mt-10 -66.27 -24.4 66.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -63.31 -55.02 28.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.244 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.742 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -72.04 -48.93 40.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.518 ' HB3' HG22 ' A' ' 133' ' ' THR . 24.2 mtt -68.5 -10.59 56.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' GLU . 11.3 t -37.2 -32.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -106.97 164.82 14.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 149.18 36.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.856 HD13 HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -146.83 -173.29 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.627 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -90.7 163.29 30.82 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.593 ' O ' HG23 ' A' ' 54' ' ' THR . 18.3 Cg_endo -74.94 -32.44 5.48 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -67.29 -48.88 66.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -63.22 -32.66 74.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.856 HG23 HD13 ' A' ' 48' ' ' LEU . 2.4 t -55.02 -46.34 77.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 50' ' ' PRO . 30.6 p -66.59 -40.71 89.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -62.17 -40.78 97.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.742 HD21 ' CD1' ' A' ' 43' ' ' LEU . 7.0 tp -66.79 -53.59 31.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.551 ' O ' HD23 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -56.98 -40.15 76.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.968 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -57.53 -35.65 70.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.528 HG11 HG22 ' A' ' 19' ' ' ILE . 13.4 t -74.61 -40.14 47.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.417 HG12 ' HB2' ' A' ' 23' ' ' ALA . 2.4 mt -71.16 -44.62 73.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.583 HD22 ' CE2' ' A' ' 140' ' ' PHE . 0.4 OUTLIER -120.42 135.0 55.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.574 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -49.05 -179.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.579 1.174 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.439 ' HA ' ' HB3' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.99 -23.89 13.37 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.544 1.813 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.902 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -65.21 -56.4 20.2 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.902 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.05 -22.14 15.04 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.506 1.793 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.444 ' OH ' ' CE ' ' A' ' 70' ' ' MET . 33.5 t80 -54.51 -46.85 73.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.78 -37.66 87.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.518 ' HB3' HG22 ' A' ' 143' ' ' VAL . 6.8 mp -63.74 -31.26 72.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.689 ' CH2' ' CE3' ' A' ' 73' ' ' TRP . 38.4 t90 -70.33 -34.66 72.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 107.975 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.444 ' CE ' ' OH ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -62.63 -42.16 99.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -63.37 -46.95 84.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.13 71.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.689 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 11.5 t90 -66.06 -41.17 91.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 108.004 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.441 ' O ' ' NE2' ' A' ' 78' ' ' GLN . . . -58.96 -45.64 94.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.14 -47.53 78.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.464 ' O ' HG22 ' A' ' 79' ' ' THR . 89.6 mm-40 -56.21 -42.73 77.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.639 ' CD2' HD13 ' A' ' 106' ' ' LEU . 2.1 mt -64.88 -46.24 82.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 74' ' ' GLY . 25.3 mt-30 -59.84 -37.59 79.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 76' ' ' GLN . 0.5 OUTLIER -62.1 -35.62 79.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.396 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.66 -38.5 73.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.488 HD11 HD12 ' A' ' 106' ' ' LEU . 29.5 mm -64.75 -48.98 82.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.25 -39.72 89.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.05 79.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.4 ' HB1' ' OD1' ' A' ' 93' ' ' ASN . . . -61.52 -37.09 82.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.8 m -67.41 -37.9 83.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.414 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -74.99 -39.07 61.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.17 105.94 48.08 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.15 3.56 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -153.48 22.49 0.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.73 142.22 65.45 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.602 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -22.04 15.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.802 . . . . 0.0 111.045 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.61 -9.28 58.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.4 ' OD1' ' HB1' ' A' ' 84' ' ' ALA . 97.5 m-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.9 t -72.84 155.56 39.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.404 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -137.2 149.64 47.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 77' ' ' LEU . 2.0 tp -63.66 -40.78 97.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -44.8 95.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -46.66 86.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.639 HD13 ' CD2' ' A' ' 77' ' ' LEU . 28.5 mt -65.2 -22.26 66.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -76.62 -42.0 43.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 103.33 23.59 8.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.843 ' HA ' HG22 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -94.61 -3.75 49.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.787 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.732 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -63.28 141.08 58.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.76 130.64 33.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.71 -17.53 59.12 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.758 ' SD ' HD13 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -102.35 -32.09 10.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 110.985 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.843 HG22 ' HA ' ' A' ' 109' ' ' LEU . 2.6 t -68.98 122.57 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 86.34 2.34 85.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.112 . . . . 0.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 0.6 OUTLIER -141.57 101.95 6.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.77 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -58.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 0.0 110.964 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -53.69 50.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.1 -34.28 78.68 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.546 1.154 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.542 ' CG ' HD11 ' A' ' 124' ' ' LEU . 31.1 tt0 -66.12 -44.47 84.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 110.349 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.62 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -66.32 -37.74 86.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.35 -23.8 62.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.088 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.758 HD13 ' SD ' ' A' ' 113' ' ' MET . 0.4 OUTLIER -80.65 -37.97 29.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.542 HD11 ' CG ' ' A' ' 120' ' ' GLN . 0.5 OUTLIER -85.68 116.12 23.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.99 157.92 0.27 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 109.03 2.85 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.502 1.79 . . . . 0.0 111.042 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 152.84 -44.53 0.61 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -33.05 70.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.4 mt -60.65 -44.08 96.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.4 t -59.85 -39.95 81.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.76 -42.39 79.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.462 ' CG1' HD22 ' A' ' 106' ' ' LEU . 50.2 mt -67.57 -39.31 82.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.518 HG22 ' HB3' ' A' ' 44' ' ' MET . 26.1 m -63.41 -47.48 81.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.25 -47.94 69.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 46.3 p -56.88 -33.75 67.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.53 -41.32 72.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.576 HD23 ' SD ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -62.96 -36.79 84.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -68.16 -40.3 82.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.263 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.18 -29.37 69.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.583 ' CE2' HD22 ' A' ' 61' ' ' LEU . 27.6 t80 -65.21 -50.26 66.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.74 -29.63 68.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -65.86 -39.93 91.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.518 HG22 ' HB3' ' A' ' 68' ' ' LEU . 25.2 t -74.97 -42.05 45.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.493 ' O ' ' CZ ' ' A' ' 32' ' ' ARG . . . -55.21 -36.18 65.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' PRO . . . . . 0.575 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.007 -0.42 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' TRP . . . . . 0.676 ' CH2' HD11 ' A' ' 180' ' ' LEU . 31.0 p90 -101.24 -20.63 15.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 108.026 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.84 -32.02 73.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.1 -21.42 46.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.531 HG22 ' CE1' ' A' ' 167' ' ' PHE . 7.0 mt -83.54 120.42 34.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.609 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 3.0 m -131.8 133.8 45.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 158' ' ' GLN . . . . . 0.582 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 22.2 tp60 -73.6 128.41 35.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.158 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -118.76 166.2 12.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -25.42 12.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.443 1.759 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.43 -27.77 59.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.42 135.13 45.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.41 ' HB2' ' CB ' ' A' ' 166' ' ' ASP . 65.3 m -57.82 151.38 17.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.788 ' CE2' HG23 ' A' ' 219' ' ' ILE . 1.1 t80 -69.74 -43.1 72.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.955 HG21 HD11 ' A' ' 223' ' ' LEU . 1.0 OUTLIER -70.79 -46.55 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.41 ' CB ' ' HB2' ' A' ' 163' ' ' SER . 13.5 t70 -56.26 -48.08 77.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.609 ' CE1' ' C ' ' A' ' 157' ' ' THR . 59.7 t80 -66.47 -42.51 87.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -56.23 -37.38 69.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -63.65 -44.05 94.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -62.52 -37.42 86.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.58 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.5 OUTLIER -70.82 -49.93 41.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.519 HG12 HD13 ' A' ' 189' ' ' ILE . 23.3 mt -57.77 -43.93 84.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -61.87 -36.2 80.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.48 -52.51 31.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 0.605 HG21 HG13 ' A' ' 189' ' ' ILE . 40.0 t -57.15 -44.99 84.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.446 ' OE2' HG22 ' A' ' 172' ' ' ILE . 1.7 mt-10 -53.38 -39.45 64.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -103.77 35.19 5.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 5.0 p -118.97 166.41 12.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 0.809 . . . . 0.0 109.992 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -89.04 76.4 7.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.676 HD11 ' CH2' ' A' ' 153' ' ' TRP . 29.9 mt -123.82 155.32 66.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.74 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.3 Cg_endo -75.04 167.1 27.75 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 64.0 6.07 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.468 1.773 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 4.2 t -179.73 -37.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.459 1.099 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.74 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -72.19 -11.74 60.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 185' ' ' ARG . . . . . 0.507 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 21.0 mtm105 -84.49 67.55 9.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.901 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 175.45 -57.54 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 187' ' ' PRO . . . . . 0.901 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.4 Cg_endo -74.91 -26.61 10.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 44.8 t -68.42 -41.38 83.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 189' ' ' ILE . . . . . 0.605 HG13 HG21 ' A' ' 175' ' ' VAL . 24.4 mt -66.67 -48.87 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 190' ' ' ILE . . . . . 0.733 HD11 ' C ' ' A' ' 214' ' ' THR . 65.3 mt -68.26 -37.81 78.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 191' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 187' ' ' PRO . 6.7 t70 -62.11 -36.21 81.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 192' ' ' CYS . . . . . 0.411 ' HA ' ' HB2' ' A' ' 195' ' ' GLN . 14.6 m -60.41 -46.52 89.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 193' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -56.71 -50.59 71.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 194' ' ' ARG . . . . . 0.538 ' HB3' HG21 ' A' ' 205' ' ' ILE . 3.8 ptp180 -78.32 2.67 17.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 195' ' ' GLN . . . . . 0.411 ' HB2' ' HA ' ' A' ' 192' ' ' CYS . 0.0 OUTLIER -81.08 -56.06 4.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.248 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 196' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 197' ' ' SER . 41.6 tttm -126.79 -84.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 197' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 196' ' ' LYS . 3.8 m 34.44 -150.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.996 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 198' ' ' GLN . . . . . 0.511 ' N ' ' CD ' ' A' ' 198' ' ' GLN . 0.0 OUTLIER -107.57 170.33 5.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -33.91 4.23 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.536 1.808 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -63.97 -50.1 69.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 18.5 mm -70.27 -44.18 77.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -56.14 -46.45 79.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -61.05 -31.24 70.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 204' ' ' LEU . . . . . 0.699 HD13 HG13 ' A' ' 222' ' ' VAL . 0.6 OUTLIER -68.49 -49.68 57.92 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.598 ' O ' ' HB3' ' A' ' 208' ' ' ALA . 0.5 OUTLIER -63.3 -48.16 88.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -60.46 -36.29 77.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -86.92 5.02 39.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.244 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 208' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -70.36 161.54 75.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 209' ' ' PRO . . . . . 0.501 ' HB2' HG22 ' A' ' 211' ' ' THR . 18.4 Cg_endo -74.99 154.96 42.92 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.83 24.3 4.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 211' ' ' THR . . . . . 0.501 HG22 ' HB2' ' A' ' 209' ' ' PRO . 15.1 t -107.44 -6.28 17.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.373 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 212' ' ' LEU . . . . . 0.622 ' O ' HG23 ' A' ' 213' ' ' THR . 0.5 OUTLIER -144.61 142.59 30.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 213' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.1 p -158.03 47.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 214' ' ' THR . . . . . 0.733 ' C ' HD11 ' A' ' 190' ' ' ILE . 72.3 p -121.7 158.39 54.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.382 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 55.17 3.86 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.483 1.78 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -160.78 -53.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.3 -35.49 63.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 218' ' ' ILE . . . . . 0.721 HG12 HD13 ' A' ' 190' ' ' ILE . 1.2 mp -61.8 -43.11 96.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 219' ' ' ILE . . . . . 0.788 HG23 ' CE2' ' A' ' 164' ' ' PHE . 5.0 mt -75.15 -44.42 43.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -55.88 -42.71 76.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.521 ' CE2' HD22 ' A' ' 204' ' ' LEU . 1.0 OUTLIER -67.66 -45.42 75.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.699 HG13 HD13 ' A' ' 204' ' ' LEU . 5.6 t -60.11 -44.61 95.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.955 HD11 HG21 ' A' ' 165' ' ' VAL . 85.0 mt -65.47 -37.94 88.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -65.18 -33.07 75.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.323 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 225' ' ' ARG . . . . . 0.446 ' CB ' HD21 ' A' ' 204' ' ' LEU . 0.7 OUTLIER -79.44 -43.81 22.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.285 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 110.309 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.517 ' HG2' HD12 ' A' ' 18' ' ' LEU . 3.7 tp10 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.03 -32.67 5.15 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.458 1.767 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -65.28 -47.09 77.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.517 HD12 ' HG2' ' A' ' 15' ' ' GLU . 96.7 mt -69.14 -39.25 78.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.545 HG23 ' CD1' ' A' ' 56' ' ' LEU . 64.6 mt -70.54 -36.58 66.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 16' ' ' PRO . 5.4 m -64.08 -50.29 68.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.362 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 22' ' ' LEU . 5.1 ptp180 -61.64 -40.65 95.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.648 HD13 HD23 ' A' ' 43' ' ' LEU . 1.2 mt -66.43 -45.79 78.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.28 -32.27 73.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.456 ' O ' HG23 ' A' ' 28' ' ' THR . 0.3 OUTLIER -62.18 -47.63 83.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.578 HG22 ' OE1' ' A' ' 39' ' ' GLU . 1.2 m -61.24 -37.76 84.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.416 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.742 HG22 ' HA ' ' A' ' 36' ' ' THR . 2.3 t -63.34 -41.29 92.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -67.29 -47.98 69.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 24' ' ' ASP . 65.4 p -70.22 -30.77 67.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.372 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 25' ' ' THR . 16.0 mmtt -81.05 -13.96 58.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.08 128.65 0.36 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.729 HD13 ' CE1' ' A' ' 140' ' ' PHE . 0.9 OUTLIER -67.25 -20.06 65.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -89.2 2.4 54.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -105.27 153.55 39.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.947 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.424 ' O ' ' CB ' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -74.99 97.89 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 111.036 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.484 HG23 ' OE2' ' A' ' 39' ' ' GLU . 0.1 OUTLIER 168.43 -31.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.742 ' HA ' HG22 ' A' ' 26' ' ' VAL . 2.8 m -58.53 -47.79 83.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.424 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 32.0 mmt -64.36 -41.43 96.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.29 -50.5 65.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.581 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 46.5 mt-10 -59.87 -47.46 85.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.538 HG12 HD21 ' A' ' 137' ' ' LEU . 37.7 t -60.75 -49.04 86.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.564 ' HG3' HD22 ' A' ' 137' ' ' LEU . 7.6 mt-10 -63.37 -24.2 67.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.581 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -61.89 -55.86 25.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.656 HD11 HD21 ' A' ' 56' ' ' LEU . 1.2 pp -73.08 -44.64 60.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.511 ' CE ' ' CE ' ' A' ' 57' ' ' MET . 14.8 mtt -69.83 -9.93 56.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' GLU . 46.9 t -35.34 -35.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' MET . 6.7 p -101.38 158.9 30.9 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 149.87 37.54 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 0.0 111.025 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.688 HD13 HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -149.56 -177.04 5.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.75 ' O ' HG23 ' A' ' 53' ' ' VAL . 9.0 mt -86.5 162.49 45.17 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.633 ' O ' HG23 ' A' ' 54' ' ' THR . 18.2 Cg_endo -75.02 -26.25 11.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.804 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -67.93 -51.12 51.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.562 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -62.87 -32.22 73.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 49' ' ' LEU . 9.5 t -54.49 -44.52 68.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 50' ' ' PRO . 18.9 p -65.64 -36.98 85.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.384 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -67.38 -43.54 81.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.656 HD21 HD11 ' A' ' 43' ' ' LEU . 14.4 tp -66.68 -54.39 23.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.55 ' HG2' ' CE2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -57.82 -39.92 78.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 61' ' ' LEU . 8.2 ttt85 -56.7 -36.86 70.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.3 t -74.63 -35.43 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.466 ' HB ' HD23 ' A' ' 61' ' ' LEU . 3.6 mt -72.79 -43.64 60.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -121.94 130.36 53.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.575 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -50.01 -178.2 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.467 ' HA ' ' HB3' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.06 -18.75 18.34 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.919 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.1 -56.76 5.29 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.919 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.0 -24.05 13.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.455 1.766 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.543 ' HA ' HD12 ' A' ' 61' ' ' LEU . 2.9 t80 -55.55 -40.85 72.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.49 -36.83 85.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.562 ' HB3' HG22 ' A' ' 143' ' ' VAL . 7.4 mp -66.54 -42.51 87.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.55 ' CE2' ' HG2' ' A' ' 57' ' ' MET . 28.3 t90 -68.74 -34.51 75.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 107.986 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.417 ' HE2' ' CZ3' ' A' ' 69' ' ' TRP . 0.9 OUTLIER -65.98 -36.21 82.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -71.56 -47.48 54.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.86 -45.82 80.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 19.9 t90 -50.66 -42.02 56.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 108.017 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.403 ' O ' ' OE1' ' A' ' 78' ' ' GLN . . . -58.76 -44.09 96.06 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.2 t -67.91 -46.27 82.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -54.43 -46.18 73.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.636 ' CD2' HD13 ' A' ' 106' ' ' LEU . 3.1 mt -56.79 -42.12 78.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 74' ' ' GLY . 0.6 OUTLIER -67.79 -30.21 69.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 110.274 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.84 -35.19 78.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.402 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.5 t -69.32 -35.35 67.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.635 HG13 HG23 ' A' ' 101' ' ' THR . 1.5 mp -75.49 -50.1 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.9 -47.43 85.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.77 -43.19 80.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.14 -49.01 78.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.175 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.43 -29.35 69.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -75.14 -41.58 58.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.252 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -129.35 115.66 18.52 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 54.94 3.77 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.553 1.817 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.44 14.35 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.442 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -83.84 134.37 44.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.599 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -22.08 15.22 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.53 -22.12 66.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 90' ' ' HIS . 14.5 p30 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.635 HG23 HG13 ' A' ' 81' ' ' ILE . 2.6 t -74.49 170.2 16.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 110.369 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -153.88 146.67 24.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.367 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.503 HD12 HD13 ' A' ' 81' ' ' ILE . 1.2 tp -56.0 -30.88 62.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -66.23 -44.93 82.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -59.48 -47.33 85.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.636 HD13 ' CD2' ' A' ' 77' ' ' LEU . 48.0 mt -71.66 -15.76 62.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.85 -57.04 6.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.458 ' HA2' ' CE ' ' A' ' 113' ' ' MET . . . 113.74 22.26 5.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -104.92 5.34 32.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 0.772 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.821 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.39 171.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.06 124.18 24.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.249 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 83.45 9.6 83.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.821 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 45.9 mtp -103.32 -22.7 13.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.63 134.54 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.77 3.18 66.41 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.13 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.77 99.4 2.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.412 ' O ' ' HG2' ' A' ' 120' ' ' GLN . 18.4 Cg_endo -75.0 -37.53 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -77.48 -32.23 54.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -76.38 -42.62 22.41 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.453 1.096 . . . . 0.0 111.037 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.439 ' HG3' ' N ' ' A' ' 121' ' ' ALA . 21.6 pt20 -61.24 -44.54 97.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.439 ' N ' ' HG3' ' A' ' 120' ' ' GLN . . . -61.52 -42.61 99.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.78 -19.04 61.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.51 HD23 ' HG ' ' A' ' 124' ' ' LEU . 0.2 OUTLIER -79.49 -30.99 42.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.351 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.804 HD11 ' CE ' ' A' ' 113' ' ' MET . 1.0 OUTLIER -88.53 103.56 16.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.409 ' N ' ' HD2' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -39.19 159.09 0.11 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.327 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 108.5 2.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.544 1.813 . . . . 0.0 110.992 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 154.69 -41.59 0.61 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 0.2 OUTLIER -66.25 -39.54 89.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 110.255 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.1 mt -59.13 -42.39 90.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.9 t -59.26 -39.87 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -56.71 -41.02 76.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.461 HG21 ' HB3' ' A' ' 50' ' ' PRO . 42.0 mt -69.01 -38.81 78.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.486 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 21.5 m -63.9 -48.68 75.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.34 -43.74 93.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 82.5 p -63.69 -34.1 77.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.984 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.7 -39.8 80.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.564 HD22 ' HG3' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -70.08 -34.02 72.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -71.84 -39.82 69.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.84 -33.06 74.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.729 ' CE1' HD13 ' A' ' 31' ' ' LEU . 2.6 t80 -65.45 -57.36 8.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -24.7 50.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -68.13 -41.87 81.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.562 HG22 ' HB3' ' A' ' 68' ' ' LEU . 5.4 t -68.92 -40.59 81.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -64.5 -49.57 70.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 152' ' ' PRO . . . . . 0.515 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.853 0 N-CA-C 110.975 -0.433 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' TRP . . . . . 0.845 ' CH2' HD11 ' A' ' 180' ' ' LEU . 32.6 p90 -51.63 -26.5 9.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 107.968 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.86 76.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 152' ' ' PRO . 62.0 m-20 -87.31 -22.09 25.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.887 HG22 ' CE1' ' A' ' 167' ' ' PHE . 26.4 mt -85.56 120.87 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.517 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 18.6 p -128.9 145.39 51.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.397 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' GLN . . . . . 0.57 ' NE2' ' O ' ' A' ' 159' ' ' GLY . 18.2 tp60 -76.97 104.6 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' GLY . . . . . 0.57 ' O ' ' NE2' ' A' ' 158' ' ' GLN . . . -106.35 163.84 13.61 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -17.84 19.18 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.64 -24.5 58.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -120.33 135.47 55.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 27.4 m -57.56 156.52 8.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.954 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.79 ' CE2' HG23 ' A' ' 219' ' ' ILE . 1.4 t80 -65.02 -52.14 57.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.924 HG23 HG21 ' A' ' 219' ' ' ILE . 0.8 OUTLIER -62.85 -45.48 98.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.437 ' N ' ' CG1' ' A' ' 165' ' ' VAL . 1.1 m-20 -56.31 -47.84 77.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.887 ' CE1' HG22 ' A' ' 156' ' ' ILE . 9.5 t80 -67.17 -33.73 76.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.416 ' O ' HD12 ' A' ' 172' ' ' ILE . . . -64.71 -33.35 75.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -67.23 -49.69 63.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.404 ' HD2' ' N ' ' A' ' 170' ' ' ARG . 4.2 mpt_? -61.88 -37.74 85.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.882 HD12 ' CZ ' ' A' ' 167' ' ' PHE . 3.5 tt -69.46 -49.36 55.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.514 HG12 HD13 ' A' ' 189' ' ' ILE . 36.7 mt -57.81 -45.67 87.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -60.74 -35.58 76.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.83 -51.98 34.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 0.497 HG23 HD23 ' A' ' 171' ' ' LEU . 46.8 t -57.15 -46.71 84.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -52.17 -40.71 61.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -100.22 27.77 18.81 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.559 1.162 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 26.2 p -111.73 166.08 11.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 110.014 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.7 84.52 5.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.845 HD11 ' CH2' ' A' ' 153' ' ' TRP . 27.9 mt -129.18 156.94 77.48 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.55 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.3 Cg_endo -75.02 162.02 37.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 182' ' ' PRO . . . . . 0.426 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.3 Cg_endo -74.97 78.69 2.83 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.486 1.782 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 183' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.5 OUTLIER 163.9 -30.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.55 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -81.12 -11.64 59.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 185' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 83.6 mtm180 -83.6 69.94 10.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.916 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 175.08 -57.76 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 187' ' ' PRO . . . . . 0.916 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -74.98 -28.39 9.25 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.518 1.799 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 24.1 t -67.47 -38.81 81.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 189' ' ' ILE . . . . . 0.514 HD13 HG12 ' A' ' 172' ' ' ILE . 53.9 mt -66.72 -48.32 80.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 190' ' ' ILE . . . . . 0.668 HD11 ' C ' ' A' ' 214' ' ' THR . 49.1 mt -69.26 -36.15 71.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -64.11 -37.53 87.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 63.5 m -60.51 -46.26 90.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 108.293 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 193' ' ' PHE . . . . . 0.408 ' O ' ' OG ' ' A' ' 197' ' ' SER . 12.6 m-30 -53.81 -38.3 64.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -98.32 9.75 42.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -87.62 -45.05 10.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.91 71.04 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 197' ' ' SER . . . . . 0.463 ' HB3' ' CG ' ' A' ' 158' ' ' GLN . 1.6 m -138.41 167.16 22.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 198' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 197' ' ' SER . 2.1 mp0 -38.34 154.46 0.13 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -37.23 2.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.46 1.768 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -44.36 88.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 18.3 mm -72.94 -37.38 53.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -70.34 -43.84 69.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.33 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -62.04 -32.01 72.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 204' ' ' LEU . . . . . 0.53 HD11 ' HG2' ' A' ' 225' ' ' ARG . 0.3 OUTLIER -68.14 -48.98 63.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.496 ' O ' ' HB3' ' A' ' 208' ' ' ALA . 0.4 OUTLIER -64.16 -39.86 87.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -63.15 -33.84 76.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -89.23 2.43 54.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 208' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -61.98 155.08 65.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 209' ' ' PRO . . . . . 0.436 ' HD2' HD11 ' A' ' 212' ' ' LEU . 18.5 Cg_endo -74.97 154.65 42.79 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.499 1.789 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.91 14.18 9.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.982 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 9.0 m -96.82 -11.64 24.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.473 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 212' ' ' LEU . . . . . 0.698 ' O ' HG23 ' A' ' 213' ' ' THR . 0.4 OUTLIER -142.05 142.31 32.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 213' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 212' ' ' LEU . 2.0 p -159.87 43.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.396 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 214' ' ' THR . . . . . 0.668 ' C ' HD11 ' A' ' 190' ' ' ILE . 34.1 p -116.52 157.92 44.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 215' ' ' PRO . . . . . 0.417 ' HB3' HG21 ' A' ' 189' ' ' ILE . 18.5 Cg_endo -74.94 55.39 3.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.436 1.756 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -159.67 -55.03 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.51 1.131 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 217' ' ' GLU . . . . . 0.404 ' CD ' ' OG1' ' A' ' 214' ' ' THR . 1.0 OUTLIER -74.27 -34.02 63.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 0.771 . . . . 0.0 110.307 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 218' ' ' ILE . . . . . 0.53 HG12 HD13 ' A' ' 190' ' ' ILE . 1.3 mp -62.09 -42.46 95.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 219' ' ' ILE . . . . . 0.924 HG21 HG23 ' A' ' 165' ' ' VAL . 3.4 mt -73.5 -47.33 45.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -55.77 -39.67 71.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.474 ' CZ ' HD23 ' A' ' 204' ' ' LEU . 0.9 OUTLIER -67.4 -46.14 74.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 111.011 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.441 HG22 ' HB3' ' A' ' 204' ' ' LEU . 6.1 t -60.59 -47.56 92.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.427 HD11 ' CG2' ' A' ' 165' ' ' VAL . 43.3 mt -65.39 -36.59 84.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.43 -37.46 87.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 225' ' ' ARG . . . . . 0.53 ' HG2' HD11 ' A' ' 204' ' ' LEU . 0.1 OUTLIER -78.48 -32.22 48.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.308 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.253 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.401 ' O ' ' N ' ' A' ' 20' ' ' THR . 18.3 Cg_endo -74.93 -26.24 11.25 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -65.03 -50.92 64.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.488 HD23 ' HE ' ' A' ' 21' ' ' ARG . 30.0 mt -60.36 -42.5 95.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.456 HG23 ' CD1' ' A' ' 56' ' ' LEU . 26.8 mt -69.33 -36.47 72.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 16' ' ' PRO . 1.7 m -61.97 -50.42 72.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.432 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.488 ' HE ' HD23 ' A' ' 18' ' ' LEU . 2.9 ptp180 -62.3 -38.55 89.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.247 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.561 HD13 ' HB3' ' A' ' 43' ' ' LEU . 6.0 mt -67.03 -38.41 85.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.414 ' CB ' HG12 ' A' ' 59' ' ' VAL . . . -68.69 -32.96 73.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.869 ' O ' HG23 ' A' ' 28' ' ' THR . 2.2 m-20 -62.2 -47.31 85.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.492 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.9 m -59.21 -37.95 78.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.425 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.87 HG13 HG23 ' A' ' 36' ' ' THR . 43.4 t -62.27 -45.73 98.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.449 ' HA ' ' CD2' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -66.48 -48.43 69.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.33 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.869 HG23 ' O ' ' A' ' 24' ' ' ASP . 50.8 p -66.35 -31.04 71.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.628 ' CG ' HG21 ' A' ' 35' ' ' ILE . 18.9 mmtm -83.35 -14.39 52.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.72 128.32 6.13 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.491 HD13 ' HZ ' ' A' ' 140' ' ' PHE . 2.4 mm? -67.29 -30.16 69.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.99 2.2 54.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.65 161.2 48.67 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.0 110.003 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -33.55 4.55 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.628 HG21 ' CG ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -52.12 -25.37 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.87 HG23 HG13 ' A' ' 26' ' ' VAL . 19.9 m -62.84 -49.17 75.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -38.45 91.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.34 -50.16 64.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.521 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -61.62 -47.3 86.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 36' ' ' THR . 76.4 t -59.91 -43.98 93.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.462 ' HG3' ' CD2' ' A' ' 137' ' ' LEU . 20.0 mt-10 -68.73 -24.64 64.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -61.49 -54.98 36.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.642 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -72.21 -48.42 43.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.562 ' HB3' HG22 ' A' ' 133' ' ' THR . 23.2 mtt -67.0 -10.6 51.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 41' ' ' GLU . 16.0 t -37.72 -31.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.996 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' MET . 3.5 p -109.78 161.54 23.82 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.02 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 149.19 36.46 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.737 HD13 HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -146.51 -172.35 3.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.804 HD21 ' HB2' ' A' ' 121' ' ' ALA . 0.3 OUTLIER -86.35 163.97 40.07 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.526 ' O ' HG23 ' A' ' 54' ' ' THR . 18.2 Cg_endo -75.06 -35.79 2.89 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.53 1.805 . . . . 0.0 110.976 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.74 -45.71 74.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.606 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.45 -33.98 76.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 49' ' ' LEU . 4.3 t -54.87 -47.06 75.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 50' ' ' PRO . 33.0 p -66.75 -33.19 75.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.399 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -66.33 -44.66 82.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.642 HD21 ' CD1' ' A' ' 43' ' ' LEU . 2.4 tp -67.58 -51.66 47.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . 1.03 ' O ' HD12 ' A' ' 61' ' ' LEU . 11.3 mmt -57.93 -33.53 68.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.572 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 4.6 ttt180 -63.55 -37.33 86.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.348 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.414 HG12 ' CB ' ' A' ' 23' ' ' ALA . 46.7 t -68.12 -44.64 84.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.458 HG21 ' HE2' ' A' ' 140' ' ' PHE . 83.6 mt -71.03 -43.23 76.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.03 HD12 ' O ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -118.02 121.83 41.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.478 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -53.54 -168.44 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.45 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.99 -19.28 18.02 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.534 1.807 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.936 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.69 -59.05 3.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.936 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.91 4.48 4.65 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.488 1.783 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 58' ' ' ARG . 0.8 OUTLIER -77.2 -50.05 13.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.967 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.98 -30.68 68.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.914 ' HB3' HG22 ' A' ' 143' ' ' VAL . 8.3 mp -71.86 -42.15 67.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.516 ' CZ3' ' CE3' ' A' ' 73' ' ' TRP . 62.5 t90 -70.89 -40.6 72.12 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.5 mmt -62.95 -38.72 92.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -70.95 -42.09 70.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.56 -30.08 64.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.516 ' CE3' ' CZ3' ' A' ' 69' ' ' TRP . 17.0 t90 -72.05 -40.59 68.24 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.71 -45.61 93.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 25.0 t -68.16 -45.29 83.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -55.65 -45.55 77.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.784 ' HB3' HD11 ' A' ' 103' ' ' LEU . 3.4 mt -58.71 -50.38 74.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -59.11 -29.98 67.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.465 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -63.47 -35.21 79.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.389 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.534 HG11 HD11 ' A' ' 106' ' ' LEU . 2.6 t -70.73 -38.26 72.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.532 HG13 HG23 ' A' ' 101' ' ' THR . 1.4 mp -70.0 -50.42 48.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.27 94.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 79' ' ' THR . . . -57.95 -45.58 86.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.88 -35.12 79.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.5 m -68.32 -34.63 76.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.382 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -74.67 -43.21 56.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 110.291 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.12 120.86 13.06 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.86 3.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -128.52 3.87 5.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 0.2 OUTLIER -73.28 139.72 79.05 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.558 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -74.99 -24.36 12.93 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.24 -6.54 55.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 100' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.412 ' N ' ' OD1' ' A' ' 93' ' ' ASN . 50.4 mtt180 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.532 HG23 HG13 ' A' ' 81' ' ' ILE . 4.5 t -97.18 170.53 9.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -140.44 165.77 26.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.784 HD11 ' HB3' ' A' ' 77' ' ' LEU . 2.1 tp -63.87 -30.09 71.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -63.29 -45.44 91.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.236 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.25 -45.08 92.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.78 HD13 ' CD2' ' A' ' 77' ' ' LEU . 10.0 mt -74.04 -15.8 61.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.74 -51.94 17.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 107.49 18.74 9.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.13 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.683 HD12 HG13 ' A' ' 114' ' ' VAL . 12.0 tp -98.12 4.85 49.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.785 ' HB3' ' CE ' ' A' ' 113' ' ' MET . . . -58.85 141.68 52.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.3 130.56 10.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 91.33 -15.48 61.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.785 ' CE ' ' HB3' ' A' ' 110' ' ' ALA . 12.0 mtm -102.87 -17.64 15.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.683 HG13 HD12 ' A' ' 109' ' ' LEU . 2.4 t -76.74 122.73 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 87.63 3.16 81.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -138.59 102.21 7.93 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -61.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -54.41 -50.68 67.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.16 -37.77 92.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.455 ' HG2' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -63.07 -44.41 95.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.278 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.804 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -66.47 -34.26 77.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.26 -22.61 57.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.711 HD23 ' O ' ' A' ' 123' ' ' LEU . 2.2 tt -79.07 -37.19 39.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.671 HD21 ' CE ' ' A' ' 113' ' ' MET . 0.7 OUTLIER -83.72 111.21 18.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.5 158.33 0.13 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 109.05 2.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 156.83 -40.11 0.56 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -32.94 74.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.753 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.601 ' HA ' HD12 ' A' ' 132' ' ' ILE . 4.9 mt -59.6 -43.56 93.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.0 t -62.98 -39.76 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.237 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.5 -38.83 72.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.601 HD12 ' HA ' ' A' ' 129' ' ' LEU . 17.3 mt -68.74 -38.75 79.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.562 HG22 ' HB3' ' A' ' 44' ' ' MET . 1.3 m -66.07 -48.9 69.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.379 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.04 96.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.4 m -67.8 -35.12 78.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.994 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.17 95.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.495 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -67.03 -39.66 87.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -34.44 77.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.254 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -70.95 -32.15 68.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.538 ' CZ ' ' CG2' ' A' ' 36' ' ' THR . 2.7 t80 -61.52 -64.23 1.01 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -53.97 -27.55 31.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 110.35 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -67.55 -30.81 70.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.914 HG22 ' HB3' ' A' ' 68' ' ' LEU . 20.2 t -84.94 -42.33 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.25 -41.5 88.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.285 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 152' ' ' PRO . . . . . 0.584 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' TRP . . . . . 0.648 ' HA ' HD12 ' A' ' 156' ' ' ILE . 40.4 p90 -56.09 -21.41 22.0 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.05 -32.74 74.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -85.68 -21.99 28.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 153' ' ' TRP . 21.6 mt -76.27 120.59 26.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.598 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 43.9 m -127.63 135.3 50.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.429 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' GLN . . . . . 0.565 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 6.1 tm0? -75.87 129.87 37.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -107.01 157.91 15.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.79 18.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.1 -15.87 37.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.004 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -105.42 135.44 46.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.45 149.44 20.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.571 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.3 OUTLIER -63.35 -52.37 62.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 1.039 HG23 HG21 ' A' ' 219' ' ' ILE . 1.8 p -63.56 -37.26 79.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -58.26 -47.96 81.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.645 ' CE2' HD12 ' A' ' 171' ' ' LEU . 90.5 t80 -67.31 -31.45 71.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 111.046 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.546 ' O ' HD12 ' A' ' 172' ' ' ILE . . . -63.44 -39.03 93.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -64.79 -46.67 81.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -59.78 -37.16 78.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.229 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.645 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.3 OUTLIER -72.06 -49.48 36.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.225 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.559 HG22 ' OE1' ' A' ' 176' ' ' GLU . 10.7 mt -57.83 -35.43 51.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -38.49 82.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.69 -51.69 39.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 0.926 HG13 HD12 ' A' ' 180' ' ' LEU . 58.1 t -59.49 -48.14 88.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.559 ' OE1' HG22 ' A' ' 172' ' ' ILE . 32.3 mt-10 -51.94 -38.7 57.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.277 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -102.38 34.74 5.47 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 59.3 p -124.36 166.5 15.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.971 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.44 85.98 6.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.926 HD12 HG13 ' A' ' 175' ' ' VAL . 21.1 mt -125.52 154.19 72.62 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.675 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.2 Cg_endo -75.03 163.47 35.22 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 65.65 6.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 37.4 t 179.49 -38.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.675 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -79.59 -10.44 59.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 185' ' ' ARG . . . . . 0.558 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 38.0 mtm180 -84.39 68.11 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.9 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 172.67 -56.45 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 187' ' ' PRO . . . . . 0.9 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -75.03 -27.73 9.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 41.4 t -66.28 -35.96 76.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 189' ' ' ILE . . . . . 0.634 HD12 ' HG3' ' A' ' 215' ' ' PRO . 54.5 mt -68.71 -48.42 71.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 190' ' ' ILE . . . . . 0.913 HD11 ' C ' ' A' ' 214' ' ' THR . 45.2 mt -64.4 -36.23 76.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -62.56 -37.71 87.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 192' ' ' CYS . . . . . 0.52 ' HB3' HD11 ' A' ' 171' ' ' LEU . 9.6 m -59.58 -47.34 85.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 108.278 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 193' ' ' PHE . . . . . 0.562 ' HB3' HD13 ' A' ' 205' ' ' ILE . 11.7 m-30 -53.74 -36.29 62.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 194' ' ' ARG . . . . . 0.416 ' O ' ' NE2' ' A' ' 202' ' ' GLN . 9.1 ptp180 -101.37 12.08 38.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -92.84 -36.15 13.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.94 73.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 197' ' ' SER . . . . . . . . . . . . . 3.3 m -139.4 169.38 17.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 198' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 202' ' ' GLN . 2.3 mp0 -39.59 159.21 0.12 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -39.03 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.782 . . . . 0.0 111.038 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -50.27 68.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 17.6 mm -68.16 -37.05 77.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 202' ' ' GLN . . . . . 0.485 ' CB ' ' O ' ' A' ' 198' ' ' GLN . 2.1 tp60 -68.92 -45.09 71.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 203' ' ' GLN . . . . . 0.536 ' NE2' ' HB2' ' A' ' 207' ' ' ALA . 31.7 tp60 -64.33 -38.63 91.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 204' ' ' LEU . . . . . 0.623 HD21 ' CG ' ' A' ' 225' ' ' ARG . 0.5 OUTLIER -61.81 -49.3 76.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.562 HD13 ' HB3' ' A' ' 193' ' ' PHE . 1.6 mt -64.83 -39.23 84.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -33.82 76.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 207' ' ' ALA . . . . . 0.536 ' HB2' ' NE2' ' A' ' 203' ' ' GLN . . . -88.81 0.32 56.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 208' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -61.42 156.41 52.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 209' ' ' PRO . . . . . 0.461 ' HD2' HD11 ' A' ' 212' ' ' LEU . 18.5 Cg_endo -74.98 153.3 41.79 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.781 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.3 18.91 4.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.021 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 5.4 m -99.94 -4.06 30.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 212' ' ' LEU . . . . . 0.734 ' O ' HG23 ' A' ' 213' ' ' THR . 0.2 OUTLIER -144.11 148.71 35.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 213' ' ' THR . . . . . 0.734 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.3 p -160.75 45.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 214' ' ' THR . . . . . 0.913 ' C ' HD11 ' A' ' 190' ' ' ILE . 1.4 m -122.46 149.86 56.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.356 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 215' ' ' PRO . . . . . 0.869 ' HD2' HG23 ' A' ' 214' ' ' THR . 18.3 Cg_endo -75.01 49.45 2.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.542 1.811 . . . . 0.0 110.982 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -146.86 -59.37 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -75.24 -34.29 61.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 0.793 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 218' ' ' ILE . . . . . 0.635 HD12 HD13 ' A' ' 212' ' ' LEU . 1.3 mp -57.62 -48.8 82.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 219' ' ' ILE . . . . . 1.039 HG21 HG23 ' A' ' 165' ' ' VAL . 4.7 mt -67.05 -41.9 87.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -58.82 -38.08 77.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.407 ' CE2' ' HA ' ' A' ' 208' ' ' ALA . 2.1 t80 -69.26 -48.62 61.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.51 HG22 ' HB3' ' A' ' 204' ' ' LEU . 24.9 t -60.46 -43.97 95.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 32.5 mt -66.32 -39.57 89.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.93 -42.61 99.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 225' ' ' ARG . . . . . 0.623 ' CG ' HD21 ' A' ' 204' ' ' LEU . 0.9 OUTLIER -73.4 -28.9 62.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.16 11.23 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.45 1.763 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -50.54 72.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.9 mt -63.56 -47.01 83.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.596 HD13 HD13 ' A' ' 56' ' ' LEU . 13.6 mt -59.76 -37.09 69.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.4 m -60.78 -38.13 84.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.348 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -49.02 75.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.827 HD21 ' OE1' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -66.53 -40.25 89.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.478 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -64.22 -32.43 74.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.3 -44.78 95.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.493 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -62.67 -37.47 86.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.758 HG22 ' HA ' ' A' ' 36' ' ' THR . 1.4 t -58.73 -49.17 83.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -48.82 80.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.5 p -68.55 -23.74 64.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.539 ' CD ' HG21 ' A' ' 35' ' ' ILE . 6.0 mmtm -90.96 -14.07 32.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 96.08 125.39 4.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.432 1.082 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.71 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -66.73 -29.5 69.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 0.738 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.72 2.49 53.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.58 166.15 26.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' MET . 18.3 Cg_endo -75.0 -46.71 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.539 HG21 ' CD ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -41.87 -28.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.759 ' O ' HG23 ' A' ' 40' ' ' VAL . 21.5 m -67.02 -49.31 65.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.421 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -64.41 -37.56 87.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.36 -51.95 26.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.827 ' OE1' HD21 ' A' ' 22' ' ' LEU . 9.3 mm-40 -59.55 -46.75 87.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 36' ' ' THR . 55.4 t -58.26 -39.9 75.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' SER . 35.2 mt-10 -71.98 -24.36 61.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -60.86 -54.87 39.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.617 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -70.29 -50.93 34.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.484 ' SD ' HD11 ' A' ' 137' ' ' LEU . 6.6 mtt -65.67 -10.56 37.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' GLU . 22.8 t -35.22 -39.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.79 162.05 22.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.023 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 147.55 33.86 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.778 HD13 HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -145.65 -178.19 5.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' A' ' 121' ' ' ALA . 0.3 OUTLIER -85.17 162.79 47.98 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.603 ' O ' HG23 ' A' ' 54' ' ' THR . 18.3 Cg_endo -75.04 -27.29 10.07 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.4 ' O ' ' OG1' ' A' ' 54' ' ' THR . 26.9 m80 -67.42 -51.45 51.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.583 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.461 ' OD2' ' N ' ' A' ' 49' ' ' LEU . 3.3 p30 -63.69 -31.96 73.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.348 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.778 HG23 HD13 ' A' ' 48' ' ' LEU . 1.3 t -54.04 -47.05 66.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 50' ' ' PRO . 43.5 p -66.58 -40.84 89.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.376 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -60.3 -40.77 91.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.617 HD21 ' CD1' ' A' ' 43' ' ' LEU . 15.1 tp -71.85 -49.74 35.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.563 ' HG2' ' CD1' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -57.65 -30.06 65.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 111.032 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 61' ' ' LEU . 3.9 ttt180 -72.28 -36.45 68.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.361 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.426 HG11 HG22 ' A' ' 19' ' ' ILE . 3.1 t -69.81 -47.93 67.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.478 HG12 ' CB ' ' A' ' 23' ' ' ALA . 29.9 mt -75.77 -43.78 39.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.819 HD11 ' HB2' ' A' ' 65' ' ' PRO . 0.2 OUTLIER -101.76 122.67 44.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.472 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -43.37 166.32 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.429 ' O ' ' HB3' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.99 -20.86 16.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.449 1.763 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.939 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -72.88 -58.78 2.51 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.939 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.0 -0.85 10.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.52 ' CE1' ' HE3' ' A' ' 70' ' ' MET . 25.3 t80 -63.53 -40.02 95.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.39 -30.0 70.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.728 ' HB3' HG22 ' A' ' 143' ' ' VAL . 8.2 mp -66.3 -48.6 69.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.734 ' CH2' ' CE3' ' A' ' 73' ' ' TRP . 22.5 t90 -59.82 -35.47 74.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.52 ' HE3' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -63.07 -44.96 94.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -62.94 -45.34 92.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.415 ' HB1' ' OE1' ' A' ' 142' ' ' GLU . . . -68.59 -37.39 79.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.734 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 15.6 t90 -61.69 -47.52 84.94 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.451 ' O ' ' NE2' ' A' ' 78' ' ' GLN . . . -53.76 -47.36 65.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.8 t -65.68 -45.54 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.76 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.409 ' O ' ' HB ' ' A' ' 79' ' ' THR . 1.5 mp0 -54.32 -43.72 71.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.706 ' HB3' HD11 ' A' ' 103' ' ' LEU . 3.0 mt -60.1 -47.09 87.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 74' ' ' GLY . 4.3 mt-30 -60.25 -36.11 77.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 76' ' ' GLN . 0.9 OUTLIER -58.17 -35.43 71.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.399 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 t -70.56 -34.33 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.805 HG13 HD13 ' A' ' 103' ' ' LEU . 19.8 mm -67.0 -49.7 71.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.23 85.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.2 -32.65 73.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.494 ' HA ' ' CD2' ' A' ' 90' ' ' HIS . . . -76.14 -50.16 15.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.58 -28.76 68.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -73.95 -43.26 58.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -120.29 116.82 32.14 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.87 3.76 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -152.37 26.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.332 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.494 ' CD2' ' HA ' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -89.7 140.78 28.08 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.612 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -75.01 -27.6 9.85 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.466 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -75.28 -12.18 60.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.4 ' CA ' ' HB ' ' A' ' 101' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.362 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 100' ' ' ARG . 4.1 ttp-105 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.539 HG23 HD12 ' A' ' 81' ' ' ILE . 10.1 t -71.07 151.92 44.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -133.1 143.0 49.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.805 HD13 HG13 ' A' ' 81' ' ' ILE . 1.6 tp -64.2 -29.58 70.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -38.92 91.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -44.43 96.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.504 HD13 ' CD2' ' A' ' 77' ' ' LEU . 16.6 mt -73.42 -30.89 63.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.87 -29.69 65.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 96.34 30.18 7.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.626 ' HA ' HG22 ' A' ' 114' ' ' VAL . 0.3 OUTLIER -103.94 4.79 35.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.78 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.649 ' O ' HG23 ' A' ' 114' ' ' VAL . . . -59.09 162.75 4.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.01 125.34 26.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.9 -6.09 83.79 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.566 1.166 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.547 ' HG2' HD12 ' A' ' 123' ' ' LEU . 7.5 mtt -103.02 -22.8 13.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 110' ' ' ALA . 2.3 t -73.41 123.49 28.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 90.29 0.15 77.27 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 16.0 m120 -134.88 103.97 10.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -64.46 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -54.34 -46.44 72.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.01 -41.05 99.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.543 1.152 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.594 ' OE1' HD11 ' A' ' 49' ' ' LEU . 1.5 tm0? -61.96 -44.02 97.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.693 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -65.95 -37.54 86.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.67 -15.16 61.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.547 HD12 ' HG2' ' A' ' 113' ' ' MET . 0.3 OUTLIER -86.31 -32.13 21.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.529 HD11 ' NE2' ' A' ' 120' ' ' GLN . 0.6 OUTLIER -90.1 115.78 27.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.55 158.01 0.17 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 108.76 2.79 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.519 1.799 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 151.76 -35.89 0.85 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.466 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 2.0 mt-10 -63.32 -41.38 98.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 0.761 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.86 -40.2 83.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.47 -40.0 82.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.32 -38.08 76.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 11.2 mt -68.91 -40.46 81.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.42 HG23 HD11 ' A' ' 48' ' ' LEU . 1.7 m -64.8 -47.0 79.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.409 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.59 -41.59 92.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.5 m -64.98 -34.31 78.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.83 -42.68 69.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.246 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.484 HD11 ' SD ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -61.7 -38.36 87.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -71.18 -34.26 70.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.05 -33.55 74.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.71 ' CZ ' HD21 ' A' ' 31' ' ' LEU . 6.2 t80 -66.02 -60.72 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -52.81 -24.92 9.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.415 ' OE1' ' HB1' ' A' ' 72' ' ' ALA . 1.6 tt0 -69.14 -41.71 76.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.728 HG22 ' HB3' ' A' ' 68' ' ' LEU . 23.8 t -74.03 -42.99 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -58.05 -36.7 73.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' PRO . . . . . 0.557 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' TRP . . . . . 0.824 ' CH2' HD11 ' A' ' 180' ' ' LEU . 44.9 p90 -51.71 -25.7 7.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 108.0 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.42 -33.59 75.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -82.19 -19.46 39.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.841 HG22 ' CZ ' ' A' ' 167' ' ' PHE . 9.1 mt -79.81 120.99 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.599 HG23 ' HD3' ' A' ' 196' ' ' LYS . 6.6 m -125.33 123.35 39.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.381 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 158' ' ' GLN . . . . . 0.646 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 9.5 tp60 -67.6 129.31 39.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -123.72 166.92 16.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -19.67 17.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.793 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 44.6 m -71.96 -34.87 69.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -101.7 135.39 43.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.45 166.21 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 110.06 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.621 ' CE2' HG23 ' A' ' 219' ' ' ILE . 3.3 t80 -68.23 -50.04 56.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.835 HG22 HG21 ' A' ' 219' ' ' ILE . 25.4 t -68.18 -35.79 72.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -48.39 77.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.867 ' CE2' HD12 ' A' ' 171' ' ' LEU . 67.4 t80 -72.14 -30.89 65.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -65.28 -37.14 86.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -67.6 -46.53 72.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -63.01 -37.32 86.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.867 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.4 OUTLIER -71.23 -50.16 35.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.619 HG12 HD13 ' A' ' 189' ' ' ILE . 47.8 mt -57.55 -40.08 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -36.03 82.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.87 -47.84 64.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 0.508 HG13 HD12 ' A' ' 180' ' ' LEU . 44.3 t -62.07 -46.2 97.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -59.79 -47.3 86.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -69.65 -27.84 72.88 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 55.4 p -70.4 166.11 21.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.958 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -100.07 70.77 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.824 HD11 ' CH2' ' A' ' 153' ' ' TRP . 12.6 mt -97.74 160.01 29.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.641 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.2 Cg_endo -74.99 164.46 33.32 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 182' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.3 Cg_endo -75.06 77.13 3.22 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 183' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.4 OUTLIER 164.73 -30.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.029 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.641 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -83.07 -11.7 57.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 185' ' ' ARG . . . . . 0.559 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 63.4 mtm180 -86.53 70.36 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.884 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 171.76 -56.47 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 187' ' ' PRO . . . . . 0.884 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.2 Cg_endo -74.96 -31.49 6.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.528 1.804 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 63.9 t -64.14 -36.97 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 189' ' ' ILE . . . . . 0.619 HD13 HG12 ' A' ' 172' ' ' ILE . 25.8 mt -67.95 -47.61 78.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 190' ' ' ILE . . . . . 0.501 HD11 ' CA ' ' A' ' 214' ' ' THR . 8.8 mt -69.07 -35.65 69.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.63 -40.63 83.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 192' ' ' CYS . . . . . 0.405 ' HB3' HD11 ' A' ' 171' ' ' LEU . 1.8 m -63.06 -47.84 81.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 108.296 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 193' ' ' PHE . . . . . 0.58 ' HB3' HD13 ' A' ' 205' ' ' ILE . 13.4 m-30 -53.74 -40.04 65.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 194' ' ' ARG . . . . . 0.452 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 3.8 ptm180 -93.28 7.66 43.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -87.01 -41.63 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 196' ' ' LYS . . . . . 0.599 ' HD3' HG23 ' A' ' 157' ' ' THR . 7.6 tttp -145.52 -89.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 197' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 196' ' ' LYS . 1.8 m 38.77 -158.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -84.16 168.81 19.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -45.44 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.42 -50.25 74.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 26.8 mm -64.58 -41.19 91.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 202' ' ' GLN . . . . . 0.419 ' NE2' ' O ' ' A' ' 194' ' ' ARG . 26.2 tp60 -63.72 -45.06 91.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -65.84 -32.71 74.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.249 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 204' ' ' LEU . . . . . 0.844 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.4 OUTLIER -70.49 -49.31 49.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.58 HD13 ' HB3' ' A' ' 193' ' ' PHE . 1.4 mt -64.09 -45.87 95.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -33.97 73.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -90.84 5.02 50.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 208' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -63.81 158.56 60.32 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 153.68 41.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.21 20.23 4.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 42.9 m -101.84 -9.46 20.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.442 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 212' ' ' LEU . . . . . 0.753 ' O ' HG23 ' A' ' 213' ' ' THR . 0.3 OUTLIER -142.4 143.35 32.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 213' ' ' THR . . . . . 0.753 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.4 p -161.27 51.11 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 214' ' ' THR . . . . . 0.71 HG22 ' HD2' ' A' ' 215' ' ' PRO . 0.2 OUTLIER -126.87 158.52 68.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.428 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 215' ' ' PRO . . . . . 0.71 ' HD2' HG22 ' A' ' 214' ' ' THR . 18.5 Cg_endo -74.98 61.38 5.65 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 111.017 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -165.07 -61.0 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -74.18 -30.11 62.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 218' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 218' ' ' ILE . 0.4 OUTLIER -63.59 -42.55 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 219' ' ' ILE . . . . . 0.835 HG21 HG22 ' A' ' 165' ' ' VAL . 4.0 mt -76.18 -46.05 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.25 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -55.62 -45.02 77.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -60.41 -48.52 81.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.527 HG22 ' HB3' ' A' ' 204' ' ' LEU . 3.8 t -60.28 -50.36 80.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.608 HD11 ' CG2' ' A' ' 165' ' ' VAL . 94.7 mt -59.18 -36.3 75.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -49.0 71.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 225' ' ' ARG . . . . . 0.844 ' HB3' HD11 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -60.82 -37.69 82.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.413 ' CD ' HD12 ' A' ' 18' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -29.8 7.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.797 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.411 ' CG ' ' N ' ' A' ' 18' ' ' LEU . 1.9 pttt -58.81 -50.19 74.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.413 HD12 ' CD ' ' A' ' 15' ' ' GLU . 42.6 mt -68.91 -44.84 72.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.544 HG23 ' CD1' ' A' ' 56' ' ' LEU . 25.0 mt -58.37 -37.56 64.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.9 m -65.71 -41.08 92.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -66.42 -45.32 80.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 26' ' ' VAL . 10.8 mt -65.58 -45.96 81.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.406 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -60.1 -39.13 85.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.823 ' O ' HG23 ' A' ' 28' ' ' THR . 0.2 OUTLIER -61.71 -44.54 96.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.516 HG22 ' CD ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -59.44 -37.3 77.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.527 ' CG1' HG23 ' A' ' 36' ' ' THR . 73.8 t -58.86 -44.48 90.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -48.37 73.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.823 HG23 ' O ' ' A' ' 24' ' ' ASP . 21.3 p -67.39 -28.13 67.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.568 ' CB ' HG21 ' A' ' 35' ' ' ILE . 9.4 mmtm -89.38 -14.45 35.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 96.07 125.62 4.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.79 -41.15 83.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.74 2.34 53.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 m -92.21 161.57 32.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.507 ' O ' ' CG1' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.0 103.66 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.456 1.766 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.568 HG21 ' CB ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER 163.37 -27.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.734 HG21 ' CE1' ' A' ' 140' ' ' PHE . 89.5 m -58.16 -48.92 78.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.482 ' SD ' HD23 ' A' ' 137' ' ' LEU . 29.7 mmt -64.13 -33.68 76.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.77 -52.26 26.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.516 ' CD ' HG22 ' A' ' 25' ' ' THR . 1.5 mt-10 -61.72 -43.84 98.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 36' ' ' THR . 70.4 t -64.53 -46.59 92.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.683 ' HG3' HD21 ' A' ' 137' ' ' LEU . 32.1 mt-10 -63.34 -24.8 68.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -66.76 -55.42 15.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.861 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -70.37 -46.54 63.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.503 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 25.1 mtt -70.51 -10.04 58.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 44' ' ' MET . 4.4 m -34.28 -36.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.005 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' MET . 1.1 m -105.76 164.97 13.91 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.89 35.79 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.512 1.796 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.784 HD13 HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -146.79 -179.63 6.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.601 HD21 ' HB2' ' A' ' 121' ' ' ALA . 3.1 mt -82.66 161.48 58.65 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.484 ' HB3' HG21 ' A' ' 132' ' ' ILE . 18.3 Cg_endo -74.95 -33.07 4.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.469 1.773 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -68.4 -44.3 75.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.593 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -33.06 74.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.784 HG23 HD13 ' A' ' 48' ' ' LEU . 2.7 t -54.69 -46.74 73.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 50' ' ' PRO . 33.9 p -65.83 -35.1 79.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -67.68 -44.23 78.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.861 HD21 ' CD1' ' A' ' 43' ' ' LEU . 9.2 tp -67.43 -47.0 71.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.494 ' HG3' ' CE2' ' A' ' 69' ' ' TRP . 12.0 mmt -59.63 -45.09 93.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 61' ' ' LEU . 4.2 ttt180 -55.33 -36.08 65.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.2 t -68.65 -34.34 64.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.695 HG21 ' HE2' ' A' ' 140' ' ' PHE . 52.5 mt -80.98 -44.45 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.555 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -116.97 130.59 56.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.485 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -51.26 -173.52 0.02 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -19.87 17.39 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.451 1.764 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.964 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -69.59 -59.42 4.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.964 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.02 3.05 5.97 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.421 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 24.0 t80 -74.18 -45.42 48.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.25 -31.15 71.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.643 HD13 ' HA ' ' A' ' 65' ' ' PRO . 6.6 mp -67.57 -43.13 81.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.625 ' CH2' HG12 ' A' ' 53' ' ' VAL . 54.1 t90 -67.64 -35.64 79.28 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.7 tpp -66.35 -36.22 82.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.78 -41.6 71.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.644 ' HB2' ' OE1' ' A' ' 142' ' ' GLU . . . -73.46 -37.15 65.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.576 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 16.4 t90 -60.08 -40.48 89.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 108.001 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.34 -40.79 98.15 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.439 1.087 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.5 t -67.97 -47.14 80.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.42 ' O ' ' HB ' ' A' ' 79' ' ' THR . 1.5 mp0 -60.66 -45.26 94.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.517 HD23 ' HA ' ' A' ' 77' ' ' LEU . 2.4 mt -55.87 -43.87 77.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -61.7 -35.08 76.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 76' ' ' GLN . 0.9 OUTLIER -62.59 -35.72 80.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.3 t -71.16 -35.21 57.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.648 HD11 HD12 ' A' ' 106' ' ' LEU . 11.3 mm -69.81 -50.22 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.4 -37.53 87.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 79' ' ' THR . . . -61.73 -49.03 78.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.65 91.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.3 m -62.26 -28.99 70.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.422 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -75.08 -42.77 56.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.27 115.74 21.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 54.82 3.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.791 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -143.48 15.87 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.46 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -81.21 136.91 49.41 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.577 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -74.97 -21.73 15.62 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.768 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.479 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -64.64 -21.99 66.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 90' ' ' HIS . 10.7 p30 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.3 t -74.5 169.55 17.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -145.58 147.89 32.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.442 HD11 ' HB3' ' A' ' 77' ' ' LEU . 5.1 tp -63.57 -35.0 79.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.58 -45.45 86.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -56.8 -46.79 81.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.667 HD22 ' CG1' ' A' ' 132' ' ' ILE . 20.7 mt -69.88 -24.09 63.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -51.18 68.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.474 ' HA2' ' CE ' ' A' ' 113' ' ' MET . . . 105.51 24.26 7.17 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.093 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.807 HD12 HG11 ' A' ' 114' ' ' VAL . 24.4 tp -108.56 -3.42 18.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.542 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.33 139.63 54.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.19 137.79 55.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.3 -18.03 58.11 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.858 ' SD ' HD22 ' A' ' 123' ' ' LEU . 8.3 mtp -100.99 -38.48 8.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 0.742 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.807 HG11 HD12 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -77.91 136.14 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 94.29 3.28 63.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -161.76 117.61 1.3 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.413 ' O ' ' CG ' ' A' ' 120' ' ' GLN . 18.4 Cg_endo -74.98 -42.48 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -75.56 -25.64 57.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -74.3 -40.27 41.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.634 ' O ' HD12 ' A' ' 124' ' ' LEU . 10.4 pt20 -65.93 -40.36 91.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 0.795 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.601 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -66.45 -38.06 86.53 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.62 -19.79 54.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.858 HD22 ' SD ' ' A' ' 113' ' ' MET . 5.3 tt -83.72 -42.57 16.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.757 HD21 ' CE ' ' A' ' 113' ' ' MET . 0.4 OUTLIER -79.68 104.58 10.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.414 ' N ' ' HD2' ' A' ' 125' ' ' ARG . 0.2 OUTLIER -41.29 158.89 0.18 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 108.86 2.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.478 1.778 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 153.19 -48.91 0.52 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.479 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 17.6 mt-10 -60.48 -31.65 70.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' A' ' 132' ' ' ILE . 11.1 mt -57.8 -48.72 78.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 42.7 t -59.52 -39.35 79.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.25 -41.79 84.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.667 ' CG1' HD22 ' A' ' 106' ' ' LEU . 19.4 mt -68.95 -39.02 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.441 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 15.4 m -64.45 -45.02 89.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.412 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.5 98.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.1 t -69.02 -39.3 79.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.021 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -60.93 -41.95 97.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.683 HD21 ' HG3' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -63.09 -45.52 91.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.49 -30.76 71.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.527 ' HB3' ' NE1' ' A' ' 69' ' ' TRP . . . -67.74 -33.62 75.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.734 ' CE1' HG21 ' A' ' 36' ' ' THR . 1.8 t80 -66.75 -46.4 75.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -61.43 -26.86 68.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.644 ' OE1' ' HB2' ' A' ' 72' ' ' ALA . 1.1 tm-20 -69.97 -41.96 73.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.541 HG22 ' HB3' ' A' ' 68' ' ' LEU . 41.7 t -76.14 -42.28 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -57.08 -42.29 80.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.251 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 155' ' ' ASP . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' TRP . . . . . 0.806 ' HA ' HD12 ' A' ' 156' ' ' ILE . 1.4 p90 -51.4 -35.76 40.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 108.013 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.16 -32.87 73.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 152' ' ' PRO . 3.4 t0 -79.9 -22.06 43.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.806 HD12 ' HA ' ' A' ' 153' ' ' TRP . 49.0 mt -78.78 120.81 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 157' ' ' THR . . . . . 1.005 HG21 ' HE2' ' A' ' 196' ' ' LYS . 24.6 m -129.12 137.13 51.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.384 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 158' ' ' GLN . . . . . 0.648 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 0.1 OUTLIER -71.73 129.81 39.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -126.07 164.44 19.64 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -28.06 9.53 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 9.1 t -79.39 -11.82 59.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.038 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -114.3 135.05 54.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 167' ' ' PHE . 0.4 OUTLIER -58.13 139.2 55.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.973 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.757 ' CE2' HG23 ' A' ' 219' ' ' ILE . 18.8 t80 -65.1 -52.16 57.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.836 HG23 ' CG2' ' A' ' 219' ' ' ILE . 0.3 OUTLIER -65.35 -45.52 93.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.435 ' N ' ' CG1' ' A' ' 165' ' ' VAL . 5.4 t70 -60.35 -44.45 95.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.648 ' CZ ' ' N ' ' A' ' 158' ' ' GLN . 47.5 t80 -64.96 -41.77 95.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.407 ' O ' HD12 ' A' ' 172' ' ' ILE . . . -56.89 -37.87 72.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -63.34 -43.54 97.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -63.22 -37.55 87.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.586 HD12 ' CZ ' ' A' ' 167' ' ' PHE . 0.5 OUTLIER -70.82 -45.14 65.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.526 HG12 HD13 ' A' ' 189' ' ' ILE . 13.6 mt -61.68 -41.98 92.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.45 -35.95 82.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.454 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -68.49 -51.78 39.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 0.763 HG13 HD12 ' A' ' 180' ' ' LEU . 47.3 t -58.84 -47.62 88.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -53.06 -39.79 63.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -98.63 30.13 10.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 31.7 p -119.13 165.88 13.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 110.017 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -88.44 79.64 7.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.763 HD12 HG13 ' A' ' 175' ' ' VAL . 18.2 mt -121.92 152.64 59.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.63 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.4 Cg_endo -74.95 164.56 33.17 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 182' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.4 Cg_endo -74.96 79.42 2.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 183' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.4 OUTLIER 161.19 -27.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.018 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.63 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -81.71 -11.77 58.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 185' ' ' ARG . . . . . 0.514 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 90.3 mtm180 -85.02 70.35 10.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.892 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 175.1 -57.05 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 187' ' ' PRO . . . . . 0.892 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.2 Cg_endo -75.0 -28.16 9.4 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.477 1.777 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 184' ' ' ALA . 74.3 t -67.45 -45.03 86.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 189' ' ' ILE . . . . . 0.62 HG22 ' CZ ' ' A' ' 193' ' ' PHE . 51.9 mt -63.16 -47.84 90.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 190' ' ' ILE . . . . . 0.626 HG23 HG21 ' A' ' 218' ' ' ILE . 26.2 mt -66.84 -36.62 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 191' ' ' ASP . . . . . 0.4 ' C ' ' OD1' ' A' ' 191' ' ' ASP . 16.0 t0 -62.67 -41.1 98.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 192' ' ' CYS . . . . . 0.401 ' HB3' HD11 ' A' ' 171' ' ' LEU . 3.7 m -56.4 -47.23 79.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 108.294 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 193' ' ' PHE . . . . . 0.62 ' CZ ' HG22 ' A' ' 189' ' ' ILE . 10.7 m-30 -53.53 -36.62 61.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 194' ' ' ARG . . . . . 0.574 ' HB3' HG21 ' A' ' 205' ' ' ILE . 0.7 OUTLIER -102.81 16.58 26.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 12.7 tm0? -97.96 -34.46 10.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 196' ' ' LYS . . . . . 1.005 ' HE2' HG21 ' A' ' 157' ' ' THR . 1.8 ttpm? -168.54 73.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 197' ' ' SER . . . . . 0.419 ' HB2' ' NE2' ' A' ' 158' ' ' GLN . 7.2 p -138.88 165.66 26.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -43.87 167.6 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -41.08 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.423 1.749 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -63.86 -43.06 97.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 24.4 mm -67.99 -45.2 84.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 202' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 202' ' ' GLN . 28.2 tp60 -64.38 -48.38 75.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -59.99 -27.92 67.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 204' ' ' LEU . . . . . 0.833 HD21 ' CB ' ' A' ' 225' ' ' ARG . 0.3 OUTLIER -70.19 -49.05 54.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.574 HG21 ' HB3' ' A' ' 194' ' ' ARG . 0.5 OUTLIER -64.4 -44.67 97.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 206' ' ' ARG . . . . . 0.414 ' HG3' ' NE2' ' A' ' 202' ' ' GLN . 10.6 mtt-85 -64.05 -33.69 76.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -92.65 4.96 52.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 208' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -69.95 159.2 85.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 154.81 42.79 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.5 18.33 8.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 1.5 m -98.56 -14.95 19.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.381 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 212' ' ' LEU . . . . . 0.639 ' O ' HG23 ' A' ' 213' ' ' THR . 0.3 OUTLIER -135.86 141.36 44.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 213' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 212' ' ' LEU . 3.8 p -158.42 45.06 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.387 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 214' ' ' THR . . . . . 0.442 ' CA ' HD11 ' A' ' 190' ' ' ILE . 22.3 p -121.06 158.59 52.26 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.442 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 55.37 3.94 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -161.72 -51.95 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -74.67 -33.96 62.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 218' ' ' ILE . . . . . 0.626 HG21 HG23 ' A' ' 190' ' ' ILE . 5.2 mm -64.29 -47.91 87.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 219' ' ' ILE . . . . . 0.836 ' CG2' HG23 ' A' ' 165' ' ' VAL . 4.4 mt -67.89 -46.1 82.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -39.39 79.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.487 ' CZ ' HD23 ' A' ' 204' ' ' LEU . 2.8 t80 -68.33 -46.84 69.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.42 HG13 HD13 ' A' ' 204' ' ' LEU . 9.3 t -60.78 -46.61 95.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.73 HD11 ' CG2' ' A' ' 165' ' ' VAL . 16.0 mt -59.49 -36.33 75.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.21 -45.94 68.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 225' ' ' ARG . . . . . 0.833 ' CB ' HD21 ' A' ' 204' ' ' LEU . 1.7 tpm_? -61.29 -43.92 98.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -24.13 13.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.524 1.802 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.83 -50.52 68.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.62 -45.38 90.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.5 mt -59.81 -37.32 71.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.6 m -57.89 -38.09 75.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.413 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -48.71 75.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.659 HD21 ' HG3' ' A' ' 39' ' ' GLU . 2.8 tt -66.9 -37.54 84.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.559 ' HB2' HG12 ' A' ' 60' ' ' ILE . . . -66.49 -34.23 77.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.748 ' O ' HG23 ' A' ' 28' ' ' THR . 22.2 m-20 -61.87 -38.27 87.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.479 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.5 m -65.98 -37.11 85.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.831 ' CG1' HG23 ' A' ' 36' ' ' THR . 3.4 t -60.49 -49.32 84.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -60.7 -48.82 80.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.748 HG23 ' O ' ' A' ' 24' ' ' ASP . 68.5 p -65.11 -30.17 71.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.407 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.713 ' CB ' HG21 ' A' ' 35' ' ' ILE . 11.1 mmtt -83.22 -14.11 53.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.96 123.68 5.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.736 HD11 ' HE1' ' A' ' 140' ' ' PHE . 0.7 OUTLIER -67.15 -26.66 66.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.749 . . . . 0.0 109.261 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -93.38 2.19 56.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.4 m -85.87 157.47 57.42 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 110.027 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.41 20.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.713 HG21 ' CB ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -63.56 -24.06 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.831 HG23 ' CG1' ' A' ' 26' ' ' VAL . 87.7 m -61.98 -49.88 74.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.394 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 37.1 mmt -64.89 -35.09 80.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.92 -52.59 34.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.659 ' HG3' HD21 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -60.77 -47.85 84.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 36' ' ' THR . 70.6 t -60.52 -49.33 84.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.625 ' HG3' HD22 ' A' ' 137' ' ' LEU . 28.6 mt-10 -58.7 -24.12 60.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -65.43 -54.74 24.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.455 HD11 HD21 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -72.74 -40.77 65.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.572 ' SD ' HD11 ' A' ' 137' ' ' LEU . 25.7 mtt -76.09 -9.71 58.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' GLU . 3.5 m -34.62 -35.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 44' ' ' MET . 45.9 m -100.87 156.24 35.39 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.975 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 149.51 36.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.423 1.749 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.734 HD13 HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -145.27 -175.0 4.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.85 HD21 ' HB2' ' A' ' 121' ' ' ALA . 0.3 OUTLIER -88.17 165.29 29.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.459 ' O ' HG23 ' A' ' 54' ' ' THR . 18.3 Cg_endo -74.99 -27.7 9.81 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.439 1.757 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.439 ' O ' ' OG1' ' A' ' 54' ' ' THR . 1.0 OUTLIER -67.27 -51.34 54.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.636 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 1.4 t70 -64.77 -31.65 72.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 49' ' ' LEU . 3.0 t -54.61 -47.09 72.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 50' ' ' PRO . 72.6 p -67.94 -37.58 81.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.469 ' CG ' ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -63.7 -45.41 90.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.469 ' N ' ' CG ' ' A' ' 55' ' ' ASN . 2.7 tp -69.68 -51.4 34.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.568 ' HG3' ' CZ2' ' A' ' 69' ' ' TRP . 15.2 mmt -57.66 -29.52 64.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 4.3 ttt180 -69.67 -34.19 73.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 t -74.07 -48.07 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.559 HG12 ' HB2' ' A' ' 23' ' ' ALA . 5.6 mt -74.39 -45.49 46.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.803 HD23 ' CE1' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -90.21 131.86 35.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.468 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -57.21 173.83 2.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.504 ' O ' ' CB ' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -75.04 -47.46 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.754 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -60.92 -51.88 76.25 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.754 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.03 2.66 6.4 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 58' ' ' ARG . 4.0 t80 -68.62 -48.63 63.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.94 -33.64 70.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.479 ' HG ' ' HA ' ' A' ' 65' ' ' PRO . 9.1 mt -62.23 -46.41 88.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.716 ' CZ3' ' CE3' ' A' ' 73' ' ' TRP . 65.8 t90 -58.56 -42.08 87.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 108.003 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 11.3 mmt -63.85 -33.85 76.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -71.04 -44.89 64.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.487 ' HB2' ' OE2' ' A' ' 142' ' ' GLU . . . -73.28 -30.73 63.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.716 ' CE3' ' CZ3' ' A' ' 69' ' ' TRP . 15.4 t90 -69.17 -49.35 57.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 107.967 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.77 -48.94 60.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 25.1 t -68.1 -43.48 85.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.411 ' O ' ' HB ' ' A' ' 79' ' ' THR . 54.4 mm-40 -55.13 -46.31 75.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.257 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.803 ' CD2' HD13 ' A' ' 106' ' ' LEU . 2.2 mt -56.86 -50.16 73.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.517 ' HA ' HD13 ' A' ' 103' ' ' LEU . 38.1 mt-30 -59.64 -33.62 71.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.484 ' O ' ' CB ' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -61.97 -35.73 79.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.456 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.532 HG13 ' CE1' ' A' ' 90' ' ' HIS . 3.0 t -71.91 -34.96 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.4 mm -71.18 -50.3 42.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.421 ' O ' HG22 ' A' ' 85' ' ' THR . . . -66.06 -38.55 88.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 79' ' ' THR . . . -62.6 -27.26 69.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.08 -50.52 14.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.421 HG22 ' O ' ' A' ' 82' ' ' ALA . 1.2 t -63.81 -32.08 73.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.369 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.8 ttt85 -74.68 -41.52 60.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.71 117.7 12.12 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 55.07 3.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.46 1.768 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -135.09 14.08 3.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.532 ' CE1' HG13 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -82.46 136.86 45.36 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.573 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.444 ' O ' ' NH1' ' A' ' 125' ' ' ARG . 18.2 Cg_endo -75.01 -21.8 15.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.769 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.52 ' HB1' ' OE1' ' A' ' 128' ' ' GLU . . . -72.92 -15.86 61.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.503 ' OD1' ' CB ' ' A' ' 90' ' ' HIS . 2.8 p-10 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.1 t -72.74 170.12 15.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -136.28 145.48 45.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.621 HD11 ' HB3' ' A' ' 77' ' ' LEU . 13.7 tp -58.45 -45.85 87.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.523 ' HA ' ' CG ' ' A' ' 107' ' ' LYS . 13.9 t0 -53.8 -37.65 63.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -35.39 60.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.803 HD13 ' CD2' ' A' ' 77' ' ' LEU . 62.6 mt -86.42 -23.91 25.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.523 ' CG ' ' HA ' ' A' ' 104' ' ' ASP . 61.7 mmtt -55.92 -48.82 75.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 100.69 13.33 35.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.656 ' HA ' HG22 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -97.98 0.78 47.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.306 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.88 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.97 147.7 33.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -58.2 130.77 48.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 91.09 -15.16 61.65 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.88 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 35.9 mtp -102.89 -20.89 14.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 0.79 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.656 HG22 ' HA ' ' A' ' 109' ' ' LEU . 2.3 t -77.29 126.29 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 82.31 3.22 90.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -138.05 101.19 8.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.76 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -65.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -43.55 70.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.36 -38.33 96.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.533 ' CG ' HD11 ' A' ' 124' ' ' LEU . 11.0 tt0 -63.9 -44.51 92.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.759 . . . . 0.0 110.306 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.85 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -63.38 -32.07 73.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.96 -24.76 55.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.775 HD23 ' O ' ' A' ' 123' ' ' LEU . 2.8 tt -79.65 -42.22 25.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.667 HD21 ' CE ' ' A' ' 113' ' ' MET . 1.2 mt -75.69 112.57 12.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.444 ' NH1' ' O ' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -38.43 157.67 0.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 108.82 2.8 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 147.18 -33.13 1.36 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.555 ' OE1' HD21 ' A' ' 106' ' ' LEU . 3.6 mm-40 -61.61 -39.63 91.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -39.08 84.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 41.8 t -60.15 -39.75 81.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.8 -39.08 83.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 4.2 mt -67.36 -39.03 81.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.503 ' O ' HD12 ' A' ' 137' ' ' LEU . 25.1 m -67.79 -46.65 71.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.424 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.19 -48.25 80.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 9.4 p -64.04 -35.1 79.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.02 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.06 -42.85 99.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.625 HD22 ' HG3' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -69.71 -42.18 74.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.83 -35.75 77.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.99 -32.51 65.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.803 ' CE1' HD23 ' A' ' 61' ' ' LEU . 1.2 t80 -69.1 -63.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.962 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -25.07 33.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.487 ' OE2' ' HB2' ' A' ' 72' ' ' ALA . 32.0 tt0 -69.49 -42.24 75.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.403 HG21 ' N ' ' A' ' 69' ' ' TRP . 37.8 t -73.19 -20.55 18.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -72.96 -41.59 64.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 152' ' ' PRO . . . . . 0.57 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 110.991 -0.427 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' TRP . . . . . 0.767 ' CH2' HD11 ' A' ' 180' ' ' LEU . 30.7 p90 -101.03 -18.73 16.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 108.004 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.74 -32.68 73.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -79.65 -20.17 47.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.61 HG22 ' CE1' ' A' ' 167' ' ' PHE . 10.7 mt -83.58 120.83 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.658 HG22 ' HD3' ' A' ' 196' ' ' LYS . 35.9 p -130.65 130.63 44.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' GLN . . . . . 0.575 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 34.4 tp60 -71.51 129.84 39.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -116.2 159.64 13.78 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.516 1.135 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -21.13 16.16 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.782 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 53.3 m -83.88 -21.31 32.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -102.35 135.76 43.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.14 132.8 54.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.994 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.869 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.9 OUTLIER -56.03 -51.73 66.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.989 HG23 HG21 ' A' ' 219' ' ' ILE . 0.6 OUTLIER -63.02 -44.22 99.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.417 ' N ' ' CG1' ' A' ' 165' ' ' VAL . 21.5 t0 -56.68 -47.94 78.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.61 ' CE1' HG22 ' A' ' 156' ' ' ILE . 61.2 t80 -67.33 -41.5 85.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.5 -41.84 73.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -61.04 -46.53 90.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 7.0 mmm-85 -58.73 -37.57 76.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.565 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.7 OUTLIER -71.11 -45.69 63.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.5 HG12 HD13 ' A' ' 189' ' ' ILE . 46.8 mt -60.01 -37.06 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.89 -39.11 83.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -67.58 -48.2 67.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 0.563 HG21 HG13 ' A' ' 189' ' ' ILE . 53.9 t -61.72 -47.65 92.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.497 ' OE2' ' CG2' ' A' ' 172' ' ' ILE . 3.9 mt-10 -56.24 -33.92 65.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -99.2 29.92 10.89 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 82.7 p -125.53 166.11 17.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 0.763 . . . . 0.0 110.018 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -94.41 89.38 5.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.767 HD11 ' CH2' ' A' ' 153' ' ' TRP . 12.3 mt -123.92 156.94 64.88 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.651 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.3 Cg_endo -75.01 165.54 31.09 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.523 1.801 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 182' ' ' PRO . . . . . 0.434 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.2 Cg_endo -75.01 77.04 3.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 183' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 1.0 OUTLIER 164.38 -31.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.651 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -79.7 -11.85 59.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 185' ' ' ARG . . . . . 0.567 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 22.0 mtm180 -87.47 67.7 9.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.875 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 172.18 -56.29 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 187' ' ' PRO . . . . . 0.875 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.2 Cg_endo -75.02 -26.91 10.43 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 55.7 t -68.1 -41.94 84.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 189' ' ' ILE . . . . . 0.563 HG13 HG21 ' A' ' 175' ' ' VAL . 19.3 mt -68.53 -47.67 75.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 190' ' ' ILE . . . . . 0.747 HD11 ' C ' ' A' ' 214' ' ' THR . 81.7 mt -66.61 -37.68 80.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 191' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 187' ' ' PRO . 8.3 t70 -67.79 -40.45 83.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.366 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.41 -42.59 78.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 108.262 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 193' ' ' PHE . . . . . 0.494 ' CZ ' HG22 ' A' ' 189' ' ' ILE . 10.8 m-30 -58.46 -50.43 73.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 194' ' ' ARG . . . . . 0.553 ' O ' ' NE2' ' A' ' 202' ' ' GLN . 23.6 ptt180 -86.26 13.6 7.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 195' ' ' GLN . . . . . 0.409 ' O ' ' NE2' ' A' ' 195' ' ' GLN . 1.1 tm0? -119.81 -4.73 10.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 196' ' ' LYS . . . . . 0.658 ' HD3' HG22 ' A' ' 157' ' ' THR . 0.0 OUTLIER -146.56 -59.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 197' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 193' ' ' PHE . 1.3 p -37.05 153.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.951 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -45.19 170.14 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 110.318 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -33.87 4.32 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.553 1.817 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.68 -50.54 72.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 9.1 mm -69.1 -36.03 71.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 202' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' A' ' 194' ' ' ARG . 12.9 tt0 -66.67 -38.9 87.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -61.76 -37.79 85.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 204' ' ' LEU . . . . . 0.452 HD23 ' CZ ' ' A' ' 221' ' ' TYR . 0.3 OUTLIER -63.73 -43.75 95.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.475 ' O ' ' HB3' ' A' ' 208' ' ' ALA . 0.6 OUTLIER -67.72 -44.91 85.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -61.57 -33.97 74.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.327 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -89.83 4.24 50.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 208' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -61.3 159.74 28.37 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 209' ' ' PRO . . . . . 0.663 ' HD2' HD11 ' A' ' 212' ' ' LEU . 18.5 Cg_endo -74.95 155.15 43.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.05 18.14 5.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 1.7 m -104.35 -10.11 18.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 212' ' ' LEU . . . . . 0.709 ' O ' HG23 ' A' ' 213' ' ' THR . 0.5 OUTLIER -140.45 140.25 35.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 213' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 212' ' ' LEU . 2.0 p -160.13 45.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 214' ' ' THR . . . . . 0.747 ' C ' HD11 ' A' ' 190' ' ' ILE . 18.0 p -123.03 157.99 58.89 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 55.23 3.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -157.53 -58.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -73.88 -30.33 62.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.273 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 218' ' ' ILE . . . . . 0.68 HG12 HD13 ' A' ' 190' ' ' ILE . 1.3 mp -63.96 -44.72 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 219' ' ' ILE . . . . . 0.989 HG21 HG23 ' A' ' 165' ' ' VAL . 3.3 mt -70.93 -50.16 44.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -56.37 -31.3 63.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.452 ' CZ ' HD23 ' A' ' 204' ' ' LEU . 1.0 OUTLIER -71.92 -49.1 40.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.437 HG22 ' HB3' ' A' ' 204' ' ' LEU . 23.7 t -61.02 -50.98 78.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 68.9 mt -59.29 -39.08 81.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -65.64 -37.28 86.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 225' ' ' ARG . . . . . 0.419 ' CG ' HD21 ' A' ' 204' ' ' LEU . 4.0 tpt180 -70.75 -41.22 72.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.467 ' O ' ' CG1' ' A' ' 19' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 15' ' ' GLU . 18.3 Cg_endo -75.0 -39.46 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.479 1.778 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -68.15 -43.66 77.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.95 -43.66 74.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.568 HG23 ' CD1' ' A' ' 56' ' ' LEU . 31.1 mt -58.82 -37.08 64.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.0 m -64.9 -39.86 94.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.409 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -48.42 68.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.644 HD23 ' CD ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -64.26 -40.67 96.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.563 ' HB1' ' HA ' ' A' ' 60' ' ' ILE . . . -60.91 -37.79 83.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.54 -43.1 99.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.488 HG22 ' OE1' ' A' ' 39' ' ' GLU . 1.3 m -58.74 -36.61 74.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 110.419 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.74 HG13 HG23 ' A' ' 36' ' ' THR . 3.6 t -61.88 -42.2 93.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -67.22 -48.91 66.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.9 p -68.28 -33.99 75.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 33' ' ' SER . 13.3 mmtt -81.1 -14.41 57.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.45 127.18 2.75 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.556 ' CD2' ' CZ ' ' A' ' 140' ' ' PHE . 0.1 OUTLIER -67.83 -33.16 74.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.01 2.63 56.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -95.48 156.13 37.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 0.0 109.983 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.04 99.65 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.522 1.801 . . . . 0.0 111.037 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.495 HG21 ' HB3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER 164.3 -31.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.74 HG23 HG13 ' A' ' 26' ' ' VAL . 18.2 m -62.69 -48.94 77.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.393 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -44.32 93.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.12 -40.6 90.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.644 ' CD ' HD23 ' A' ' 22' ' ' LEU . 1.5 mt-10 -64.37 -48.39 75.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.646 HG21 ' CE2' ' A' ' 140' ' ' PHE . 97.5 t -62.86 -41.38 92.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 45' ' ' SER . 0.7 OUTLIER -69.93 -24.73 63.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -61.66 -54.95 35.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.824 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -71.06 -37.98 72.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.57 ' SD ' HD12 ' A' ' 137' ' ' LEU . 9.7 mtt -74.2 -10.96 60.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' GLU . 35.3 t -36.33 -33.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.949 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -109.04 166.6 10.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.23 37.79 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.464 1.771 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.42 ' CD1' ' OG1' ' A' ' 133' ' ' THR . 0.3 OUTLIER -153.95 163.16 40.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.649 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.3 mt -67.65 163.72 45.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.545 ' O ' HG23 ' A' ' 54' ' ' THR . 18.4 Cg_endo -74.98 -30.15 7.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.427 ' O ' ' OG1' ' A' ' 54' ' ' THR . 0.3 OUTLIER -67.52 -41.89 83.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.563 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 0.5 OUTLIER -63.96 -32.01 73.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 49' ' ' LEU . 61.5 t -60.23 -44.13 94.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.407 1.067 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 50' ' ' PRO . 28.6 p -66.78 -45.73 77.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.459 ' CG ' ' N ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -63.65 -42.56 98.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.824 HD21 ' CD1' ' A' ' 43' ' ' LEU . 8.3 tp -65.84 -52.22 52.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.529 ' SD ' HD21 ' A' ' 61' ' ' LEU . 10.8 mmt -57.69 -41.32 81.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.485 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 5.8 ttt85 -55.87 -35.47 66.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.483 HG12 ' CB ' ' A' ' 23' ' ' ALA . 48.4 t -74.02 -34.19 38.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.563 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 64.2 mt -77.59 -44.14 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.675 HD22 ' CE1' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -121.11 137.56 54.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.512 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -62.6 -166.44 0.6 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.466 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.92 -25.74 11.75 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.541 1.811 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.908 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -68.76 -57.41 8.1 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.908 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.97 2.38 6.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.485 ' CE1' ' HB2' ' A' ' 58' ' ' ARG . 0.8 OUTLIER -73.55 -51.7 16.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.94 -28.95 69.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.479 ' C ' HG21 ' A' ' 143' ' ' VAL . 5.1 mp -67.07 -48.54 67.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.656 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 25.2 t90 -71.18 -41.27 70.55 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -46.37 89.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -62.58 -46.95 85.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.52 -35.28 79.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.656 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 11.2 t90 -56.6 -42.84 79.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 107.965 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.405 ' O ' ' NE2' ' A' ' 78' ' ' GLN . . . -61.85 -40.11 98.4 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.128 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.0 t -68.28 -47.86 76.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.756 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.406 ' O ' ' HB ' ' A' ' 79' ' ' THR . 63.5 mm-40 -59.87 -45.58 92.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.599 ' HB3' HD11 ' A' ' 103' ' ' LEU . 2.6 mt -60.94 -45.02 96.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.452 ' HA ' HD13 ' A' ' 103' ' ' LEU . 38.9 mt-30 -59.95 -36.61 77.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 76' ' ' GLN . 0.9 OUTLIER -58.72 -40.61 84.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.398 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 t -66.47 -37.41 79.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.475 HD12 HG23 ' A' ' 101' ' ' THR . 10.9 mm -69.44 -38.99 78.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.0 -36.99 75.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.28 -49.38 72.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.13 -47.33 77.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.2 m -58.5 -39.3 79.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -75.21 -42.83 54.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.19 114.78 20.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.91 3.78 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.478 1.778 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.59 4.82 5.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.434 ' O ' ' CG ' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -82.19 134.14 49.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.59 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -20.25 17.07 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.536 1.808 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.453 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -59.97 -15.97 26.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.48 ' O ' ' OD1' ' A' ' 93' ' ' ASN . 45.1 p30 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.6 ttm-85 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.475 HG23 HD12 ' A' ' 81' ' ' ILE . 4.0 t -70.84 166.49 20.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -143.89 131.57 21.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.599 HD11 ' HB3' ' A' ' 77' ' ' LEU . 4.4 tp -55.6 -39.86 71.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -60.31 -45.25 94.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -57.65 -46.66 83.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.659 HD22 ' CG1' ' A' ' 132' ' ' ILE . 10.2 mt -67.71 -20.85 65.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.94 -43.5 92.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 105.1 1.63 41.75 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.596 ' HA ' HG22 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -83.94 6.4 21.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.797 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.5 144.85 41.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -60.76 126.78 28.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 89.26 -9.3 77.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.797 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 30.1 mtp -102.78 -17.75 15.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.596 HG22 ' HA ' ' A' ' 109' ' ' LEU . 2.1 t -85.21 121.89 37.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.06 2.34 68.97 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -138.74 104.24 7.57 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.459 0.74 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.48 ' CB ' ' CD1' ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.0 -69.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.527 1.804 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -53.74 -41.98 67.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.64 -40.99 99.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.469 1.106 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.797 ' HG2' HD21 ' A' ' 124' ' ' LEU . 0.6 OUTLIER -60.45 -45.14 94.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 0.737 . . . . 0.0 110.328 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -60.14 -31.34 69.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.12 -16.0 58.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.544 HD13 ' HG3' ' A' ' 113' ' ' MET . 0.6 OUTLIER -86.07 -17.08 36.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.797 HD21 ' HG2' ' A' ' 120' ' ' GLN . 0.1 OUTLIER -128.85 121.43 28.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.415 ' N ' ' HD2' ' A' ' 125' ' ' ARG . 0.2 OUTLIER -43.35 160.09 0.22 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 109.12 2.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 160.97 -44.6 0.4 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.453 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 7.5 mt-10 -57.07 -32.51 66.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 0.778 . . . . 0.0 110.261 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.709 ' HA ' HD12 ' A' ' 132' ' ' ILE . 0.3 OUTLIER -62.54 -41.69 99.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 56.9 t -59.53 -39.77 80.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.57 90.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.709 HD12 ' HA ' ' A' ' 129' ' ' LEU . 14.2 mt -69.07 -38.61 78.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.53 HG23 ' SD ' ' A' ' 44' ' ' MET . 58.6 m -68.37 -40.3 81.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.394 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.76 -42.51 77.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.5 p -68.97 -34.61 75.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.034 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.7 -43.3 97.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.601 ' CD1' HG12 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -70.02 -33.04 71.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -73.0 -29.51 63.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -78.75 -33.79 46.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.675 ' CE1' HD22 ' A' ' 61' ' ' LEU . 5.7 t80 -74.4 -40.7 61.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -70.73 -24.88 62.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -73.59 -41.57 62.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.479 HG21 ' C ' ' A' ' 68' ' ' LEU . 7.8 t -68.66 -43.35 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -72.9 -21.5 60.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 152' ' ' PRO . . . . . 0.534 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.898 0 N-CA-C 111.059 -0.4 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' TRP . . . . . 0.572 ' CH2' HD11 ' A' ' 180' ' ' LEU . 30.0 p90 -101.67 -30.65 11.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 108.027 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -54.08 -32.0 53.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -79.13 -22.14 45.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.108 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.599 HD11 ' HB2' ' A' ' 174' ' ' ALA . 15.5 mt -79.65 120.5 31.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.535 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 63.9 m -129.26 126.35 38.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' GLN . . . . . 0.659 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 14.7 tm0? -66.51 129.62 40.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 159' ' ' GLY . . . . . 0.439 ' O ' ' NE2' ' A' ' 158' ' ' GLN . . . -123.23 164.83 16.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -23.62 13.67 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.81 -31.01 61.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.414 ' HG3' ' NH2' ' A' ' 170' ' ' ARG . 46.5 mm-40 -99.77 135.66 40.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.458 ' HB2' ' CB ' ' A' ' 166' ' ' ASP . 2.7 m -57.39 156.12 8.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.722 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.8 OUTLIER -69.09 -51.83 34.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.938 HG23 HG21 ' A' ' 219' ' ' ILE . 1.1 p -66.23 -43.91 91.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.458 ' CB ' ' HB2' ' A' ' 163' ' ' SER . 39.5 t0 -56.3 -45.83 80.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.659 ' CZ ' ' N ' ' A' ' 158' ' ' GLN . 77.9 t80 -67.69 -43.46 80.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.583 ' O ' HD12 ' A' ' 172' ' ' ILE . . . -55.51 -34.2 64.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -66.3 -50.17 64.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 109.304 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.414 ' NH2' ' HG3' ' A' ' 162' ' ' GLU . 10.9 mtm105 -59.79 -38.13 81.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.489 HD12 ' CE2' ' A' ' 167' ' ' PHE . 3.3 tt -69.24 -49.45 56.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 168' ' ' ALA . 16.5 mt -57.68 -40.46 75.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -63.25 -36.93 85.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.599 ' HB2' HD11 ' A' ' 156' ' ' ILE . . . -68.33 -52.95 27.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 0.602 HG13 HD12 ' A' ' 180' ' ' LEU . 42.5 t -57.12 -45.61 84.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.435 ' OE1' HG22 ' A' ' 172' ' ' ILE . 41.5 mt-10 -58.53 -43.0 89.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -88.9 22.3 22.74 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.125 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 49.2 p -118.6 165.87 13.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 109.958 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.46 90.31 5.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.602 HD12 HG13 ' A' ' 175' ' ' VAL . 10.0 mt -119.16 162.77 30.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 172.43 16.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.791 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 136.75 20.82 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.789 . . . . 0.0 111.018 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.04 7.35 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -99.7 -15.48 18.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 185' ' ' ARG . . . . . 0.591 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 6.6 mtp180 -88.78 79.61 7.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.849 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 170.47 -55.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 187' ' ' PRO . . . . . 0.849 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -75.03 -27.64 9.79 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 29.1 t -70.88 -40.47 76.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 189' ' ' ILE . . . . . 0.55 HG13 HG21 ' A' ' 175' ' ' VAL . 19.1 mt -67.94 -48.27 75.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 190' ' ' ILE . . . . . 0.756 HD11 ' C ' ' A' ' 214' ' ' THR . 94.3 mt -64.62 -35.47 74.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.73 -43.43 90.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 192' ' ' CYS . . . . . 0.445 ' CB ' HD11 ' A' ' 171' ' ' LEU . 26.0 m -56.91 -49.47 75.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 108.29 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 193' ' ' PHE . . . . . 0.503 ' CZ ' ' CB ' ' A' ' 168' ' ' ALA . 13.3 m-30 -53.15 -40.75 64.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 194' ' ' ARG . . . . . 0.574 ' HB3' HG21 ' A' ' 205' ' ' ILE . 0.1 OUTLIER -96.25 15.67 20.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -94.51 -46.03 7.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.277 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 196' ' ' LYS . . . . . 0.529 ' O ' ' NE2' ' A' ' 202' ' ' GLN . 16.3 mtpt -141.17 -92.46 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 197' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 196' ' ' LYS . 0.7 OUTLIER 36.78 -156.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.021 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -80.48 158.79 70.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -38.82 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.464 1.771 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -65.62 -32.38 73.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.407 ' HA ' HD13 ' A' ' 201' ' ' ILE . 16.6 mm -73.1 -45.27 54.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 202' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' A' ' 196' ' ' LYS . 27.4 mt-30 -62.13 -38.6 89.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 203' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 203' ' ' GLN . 31.5 tp60 -63.06 -34.84 78.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 204' ' ' LEU . . . . . 0.801 HD21 ' CG ' ' A' ' 225' ' ' ARG . 0.3 OUTLIER -70.37 -49.55 48.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.574 HG21 ' HB3' ' A' ' 194' ' ' ARG . 1.0 OUTLIER -62.45 -38.12 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -34.0 77.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -89.48 2.25 54.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.253 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 208' ' ' ALA . . . . . 0.513 ' HA ' ' CE2' ' A' ' 221' ' ' TYR . . . -62.37 158.19 49.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 209' ' ' PRO . . . . . 0.528 ' HB2' HG22 ' A' ' 211' ' ' THR . 18.3 Cg_endo -75.01 152.82 41.18 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.537 1.809 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.55 24.63 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.04 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 211' ' ' THR . . . . . 0.528 HG22 ' HB2' ' A' ' 209' ' ' PRO . 14.9 t -109.33 -1.77 18.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.417 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 212' ' ' LEU . . . . . 0.736 ' O ' HG23 ' A' ' 213' ' ' THR . 0.5 OUTLIER -148.67 145.16 27.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 213' ' ' THR . . . . . 0.736 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.7 p -160.95 50.54 0.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.436 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 214' ' ' THR . . . . . 0.756 ' C ' HD11 ' A' ' 190' ' ' ILE . 69.6 p -123.61 158.88 57.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.424 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 54.35 3.62 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -158.98 -54.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.142 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -74.05 -34.74 64.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 218' ' ' ILE . . . . . 0.717 HG12 HD13 ' A' ' 190' ' ' ILE . 0.7 OUTLIER -64.3 -41.54 92.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 219' ' ' ILE . . . . . 0.938 HG21 HG23 ' A' ' 165' ' ' VAL . 5.3 mt -74.67 -50.26 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -33.49 64.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.513 ' CE2' ' HA ' ' A' ' 208' ' ' ALA . 10.4 t80 -71.87 -49.4 38.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.487 HG22 ' HB3' ' A' ' 204' ' ' LEU . 12.8 t -60.29 -43.99 94.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 19.5 mt -63.68 -41.21 98.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.22 -35.48 80.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 225' ' ' ARG . . . . . 0.801 ' CG ' HD21 ' A' ' 204' ' ' LEU . 1.5 tpm_? -74.97 -38.82 61.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.279 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.516 ' CB ' HD12 ' A' ' 18' ' ' LEU . 3.4 tp10 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -44.81 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -36.95 72.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.516 HD12 ' CB ' ' A' ' 15' ' ' GLU . 86.4 mt -70.19 -38.77 75.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.571 HG23 ' CD1' ' A' ' 56' ' ' LEU . 11.0 mt -69.74 -36.98 72.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.1 m -61.72 -50.06 73.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.406 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -64.45 -37.89 89.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.669 HD13 HD22 ' A' ' 43' ' ' LEU . 1.4 mt -66.39 -43.74 85.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.469 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -65.18 -32.2 73.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.806 ' O ' HG23 ' A' ' 28' ' ' THR . 0.2 OUTLIER -62.05 -46.04 90.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.497 HG22 ' CD ' ' A' ' 39' ' ' GLU . 1.3 m -59.55 -39.35 83.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.451 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.677 HG22 ' HA ' ' A' ' 36' ' ' THR . 2.7 t -59.33 -40.51 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -48.51 68.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.243 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.806 HG23 ' O ' ' A' ' 24' ' ' ASP . 22.0 p -67.48 -30.46 70.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.356 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.575 ' CG ' HG21 ' A' ' 35' ' ' ILE . 17.5 mmtt -84.75 -13.33 51.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.16 126.01 5.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.696 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -66.88 -31.22 71.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.76 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.59 2.13 55.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.78 164.63 38.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.977 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 37' ' ' MET . 18.3 Cg_endo -74.95 -45.09 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.575 HG21 ' CG ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -41.44 -29.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.15 . . . . 0.0 109.337 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.677 ' HA ' HG22 ' A' ' 26' ' ' VAL . 19.4 m -60.39 -48.99 79.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.473 ' HE1' ' CD1' ' A' ' 140' ' ' PHE . 0.0 OUTLIER -63.22 -39.72 95.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.939 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.99 84.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.522 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 1.4 mt-10 -63.27 -47.04 84.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.449 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 34.5 t -61.74 -47.55 92.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 45' ' ' SER . 4.3 mt-10 -62.75 -24.55 67.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -65.17 -55.56 17.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.669 HD22 HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -72.26 -42.12 65.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.499 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 29.8 mtt -74.07 -10.12 59.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 44' ' ' MET . 6.1 m -34.41 -35.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.4 OUTLIER -109.12 165.85 11.89 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.058 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 147.08 33.35 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.531 1.806 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.656 ' H ' HD12 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -140.57 -173.73 3.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.623 HD21 ' HB2' ' A' ' 121' ' ' ALA . 0.2 OUTLIER -86.65 165.14 34.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -34.03 4.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.422 1.749 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.437 ' O ' ' OG1' ' A' ' 54' ' ' THR . 1.5 t-160 -67.62 -43.88 79.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.551 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -64.23 -32.47 74.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.64 HG23 HD13 ' A' ' 48' ' ' LEU . 2.1 t -59.39 -47.84 89.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.465 ' C ' ' HH ' ' A' ' 66' ' ' TYR . 19.1 p -67.43 -42.55 82.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.378 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -60.96 -42.62 98.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.654 HD21 ' CD1' ' A' ' 43' ' ' LEU . 15.4 tp -69.36 -50.1 49.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.835 ' O ' HD12 ' A' ' 61' ' ' LEU . 19.1 mmt -57.63 -30.91 65.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 35.6 ttt85 -69.53 -37.17 77.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.452 HG12 ' CB ' ' A' ' 23' ' ' ALA . 34.4 t -69.5 -47.34 72.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.469 HG12 ' CB ' ' A' ' 23' ' ' ALA . 97.6 mt -71.58 -43.17 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.835 HD12 ' O ' ' A' ' 57' ' ' MET . 0.2 OUTLIER -114.81 124.45 51.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.487 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -55.67 -173.1 0.13 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.457 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.4 Cg_endo -74.97 -19.46 17.89 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 111.04 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.958 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.46 -59.06 3.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.958 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.6 Cg_endo -74.96 4.76 4.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 58' ' ' ARG . 1.3 t80 -77.67 -48.88 15.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.89 -33.75 72.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.604 ' HB3' HG22 ' A' ' 143' ' ' VAL . 6.4 mp -69.28 -44.36 72.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.565 ' CZ2' ' HG3' ' A' ' 57' ' ' MET . 25.6 t90 -70.53 -35.46 73.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 107.991 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.0 mmt -64.36 -41.6 96.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -70.7 -42.28 70.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.99 -38.78 83.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.454 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 14.7 t90 -62.94 -41.52 99.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 107.994 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.25 -45.16 94.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.1 t -68.1 -47.09 80.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -56.21 -45.54 79.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.601 ' CD2' HD13 ' A' ' 106' ' ' LEU . 3.2 mt -60.62 -46.61 89.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -63.01 -30.62 71.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -66.84 -37.17 83.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.85 -47.05 89.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.938 HG13 HG23 ' A' ' 101' ' ' THR . 1.5 mp -66.27 -45.38 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.11 -36.77 80.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.505 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . . . -64.71 -49.45 70.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.504 ' HB2' ' CB ' ' A' ' 90' ' ' HIS . . . -63.26 -34.97 78.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.2 m -68.22 -40.56 82.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.7 mtt85 -72.26 -43.41 64.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.33 122.27 13.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.66 3.69 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -120.6 -5.6 9.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.505 ' CD2' ' HB3' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -73.03 130.73 84.53 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.612 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -74.99 -21.43 15.88 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.797 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.445 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -66.66 -10.46 46.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.455 ' O ' ' OD1' ' A' ' 93' ' ' ASN . 30.4 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.938 HG23 HG13 ' A' ' 81' ' ' ILE . 4.3 t -75.14 169.52 17.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.389 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -150.48 144.54 25.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.598 HD12 HD13 ' A' ' 81' ' ' ILE . 1.9 tp -59.98 -40.82 90.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.87 -45.17 95.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -41.2 97.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.601 HD13 ' CD2' ' A' ' 77' ' ' LEU . 7.2 mt -72.24 -19.48 61.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.34 -51.33 11.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.577 ' HA2' ' HE2' ' A' ' 113' ' ' MET . . . 110.69 27.56 4.31 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.595 ' HA ' HG22 ' A' ' 114' ' ' VAL . 2.7 tp -107.04 5.69 28.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.951 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -64.73 151.34 45.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.23 128.34 36.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.55 -16.64 60.84 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.56 1.163 . . . . 0.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.951 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 32.9 mtp -102.54 -23.74 13.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.595 HG22 ' HA ' ' A' ' 109' ' ' LEU . 2.6 t -72.1 122.23 24.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.79 2.51 75.32 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.438 1.086 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.464 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 18.5 m-20 -138.51 104.07 7.76 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -68.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -49.14 69.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.91 -35.76 84.54 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 0.0 OUTLIER -65.64 -44.15 87.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.623 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -65.51 -32.15 73.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.23 -15.97 59.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 123' ' ' LEU . 0.2 OUTLIER -86.54 -28.23 23.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.626 HD21 ' CE ' ' A' ' 113' ' ' MET . 1.1 mt -92.36 120.92 33.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.98 156.98 0.42 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 108.9 2.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.439 1.757 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 152.02 -43.31 0.67 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.445 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 24.8 mt-10 -56.76 -34.35 67.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 110.332 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.7 mt -58.76 -44.11 90.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 8.7 t -59.64 -39.83 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -56.53 -37.25 70.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.464 ' CG1' HD22 ' A' ' 106' ' ' LEU . 45.0 mt -69.22 -42.0 81.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.432 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 4.1 m -62.75 -48.55 78.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.419 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.47 88.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -36.61 79.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.989 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.05 -43.28 92.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.499 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.3 OUTLIER -69.7 -33.73 72.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -69.15 -41.52 77.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.66 -33.16 73.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.473 ' CD1' ' HE1' ' A' ' 37' ' ' MET . 5.8 t80 -61.26 -65.42 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -52.96 -25.1 10.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.59 -34.09 75.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.604 HG22 ' HB3' ' A' ' 68' ' ' LEU . 4.1 t -77.99 -33.04 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -72.84 -45.99 55.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' PRO . . . . . 0.57 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 N-CA-C 111.007 -0.421 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' TRP . . . . . 0.691 ' CH2' HD11 ' A' ' 180' ' ' LEU . 38.3 p90 -92.83 -20.79 20.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 108.012 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -61.27 -32.61 72.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 109.247 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.66 -14.43 58.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.787 HG22 ' CE1' ' A' ' 167' ' ' PHE . 4.0 mt -92.84 120.72 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.604 ' C ' ' CZ ' ' A' ' 167' ' ' PHE . 2.7 m -129.44 137.63 50.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.363 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' GLN . . . . . 0.513 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 1.1 tm0? -77.73 127.14 31.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -122.38 160.35 16.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' PRO . . . . . 0.428 ' HB3' ' OE1' ' A' ' 198' ' ' GLN . 18.1 Cg_endo -75.05 -19.84 17.34 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 56.5 p -79.48 -16.66 55.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.06 136.67 52.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.432 ' CB ' ' HB2' ' A' ' 166' ' ' ASP . 0.3 OUTLIER -56.22 133.1 52.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.021 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.521 ' CE2' HG23 ' A' ' 219' ' ' ILE . 1.5 t80 -56.54 -52.59 64.19 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.867 HG23 HG21 ' A' ' 219' ' ' ILE . 0.5 OUTLIER -62.66 -37.53 79.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.432 ' HB2' ' CB ' ' A' ' 163' ' ' SER . 35.5 m-20 -62.92 -48.18 80.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.957 ' CE2' HD12 ' A' ' 171' ' ' LEU . 87.6 t80 -67.15 -37.71 84.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -57.83 -36.87 72.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -67.06 -47.28 71.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 32.3 mtp85 -61.74 -37.6 84.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.957 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.5 OUTLIER -70.22 -50.4 40.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.51 HG12 HD13 ' A' ' 189' ' ' ILE . 37.6 mt -57.93 -38.67 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.86 -36.61 83.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.474 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -68.84 -51.03 44.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 0.71 HG21 HG13 ' A' ' 189' ' ' ILE . 52.6 t -59.22 -48.03 88.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.98 -35.17 61.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -102.02 26.41 24.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 25.8 p -116.39 166.07 12.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.765 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -88.72 80.52 7.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.691 HD11 ' CH2' ' A' ' 153' ' ' TRP . 17.5 mt -123.6 154.08 66.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.625 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.2 Cg_endo -75.03 162.24 37.37 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 64.94 6.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.445 1.761 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 4.2 t -179.18 -37.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.625 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -80.97 -11.61 59.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 185' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 81.0 mtm180 -84.29 70.3 10.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.929 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 174.59 -57.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 187' ' ' PRO . . . . . 0.929 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.1 Cg_endo -74.97 -26.9 10.54 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.506 1.793 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 20.7 t -66.39 -38.44 81.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 189' ' ' ILE . . . . . 0.71 HG13 HG21 ' A' ' 175' ' ' VAL . 16.2 mt -68.21 -48.06 75.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 190' ' ' ILE . . . . . 0.706 HD11 ' C ' ' A' ' 214' ' ' THR . 53.3 mt -66.35 -35.86 75.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.93 -36.27 78.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 192' ' ' CYS . . . . . 0.406 ' HA ' ' HB2' ' A' ' 195' ' ' GLN . 34.9 m -62.83 -48.37 79.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 108.281 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 193' ' ' PHE . . . . . . . . . . . . . 9.0 m-30 -53.7 -50.72 65.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 194' ' ' ARG . . . . . 0.616 ' HB3' HG21 ' A' ' 205' ' ' ILE . 8.5 ptm180 -76.86 1.04 18.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 195' ' ' GLN . . . . . 0.406 ' HB2' ' HA ' ' A' ' 192' ' ' CYS . 1.1 tp60 -81.75 -40.92 21.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.254 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.55 78.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 197' ' ' SER . . . . . 0.606 ' O ' ' O ' ' A' ' 198' ' ' GLN . 25.4 p -145.15 92.16 2.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 110.043 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 198' ' ' GLN . . . . . 0.606 ' O ' ' O ' ' A' ' 197' ' ' SER . 0.5 OUTLIER 51.25 156.0 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -44.31 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.473 1.775 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -45.64 76.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.523 ' O ' HD12 ' A' ' 205' ' ' ILE . 12.7 mm -59.71 -29.84 43.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.79 -49.19 32.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 203' ' ' GLN . . . . . 0.492 ' O ' ' CB ' ' A' ' 207' ' ' ALA . 1.1 mt-30 -66.37 -27.66 68.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 204' ' ' LEU . . . . . 0.711 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.4 OUTLIER -68.42 -49.26 61.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.616 HG21 ' HB3' ' A' ' 194' ' ' ARG . 1.2 mt -68.8 -48.78 69.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 206' ' ' ARG . . . . . 0.485 ' CD ' ' HA ' ' A' ' 203' ' ' GLN . 2.2 ptm180 -59.47 -33.44 71.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 207' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 203' ' ' GLN . . . -89.42 3.75 51.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 208' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -64.51 158.26 67.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 209' ' ' PRO . . . . . 0.652 ' HB2' HG22 ' A' ' 211' ' ' THR . 18.4 Cg_endo -75.0 153.71 41.98 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.512 1.796 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.19 14.15 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 211' ' ' THR . . . . . 0.652 HG22 ' HB2' ' A' ' 209' ' ' PRO . 12.4 t -96.27 -5.9 39.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 212' ' ' LEU . . . . . 0.736 ' O ' HG23 ' A' ' 213' ' ' THR . 0.4 OUTLIER -148.54 145.4 27.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 213' ' ' THR . . . . . 0.736 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.7 p -161.12 46.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 214' ' ' THR . . . . . 0.706 ' C ' HD11 ' A' ' 190' ' ' ILE . 56.0 p -120.45 158.3 51.61 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.46 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 54.65 3.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -160.87 -50.12 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -74.37 -36.73 63.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.757 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 218' ' ' ILE . . . . . 0.618 HG12 HD13 ' A' ' 190' ' ' ILE . 1.1 mp -63.7 -51.47 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 219' ' ' ILE . . . . . 0.867 HG21 HG23 ' A' ' 165' ' ' VAL . 3.5 mt -63.7 -45.87 96.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.69 -34.94 73.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.443 ' CE2' ' HA ' ' A' ' 208' ' ' ALA . 0.3 OUTLIER -74.02 -48.5 29.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.613 HG13 HD13 ' A' ' 204' ' ' LEU . 5.4 t -59.99 -45.56 95.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.514 HD11 ' CG2' ' A' ' 165' ' ' VAL . 33.1 mt -62.99 -35.77 81.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -67.97 -35.55 78.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 225' ' ' ARG . . . . . 0.711 ' HB3' HD11 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -74.62 -44.67 49.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.275 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.537 ' CG ' HD12 ' A' ' 18' ' ' LEU . 1.7 pt-20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -37.83 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -58.43 -49.74 76.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.537 HD12 ' CG ' ' A' ' 15' ' ' GLU . 97.0 mt -69.92 -45.48 67.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.93 ' CD1' HD12 ' A' ' 56' ' ' LEU . 39.4 mt -58.18 -36.64 58.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.2 m -66.79 -41.7 87.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 110.333 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 mtp85 -67.5 -48.95 65.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -44.57 89.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.422 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -61.76 -31.6 71.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.897 ' O ' HG23 ' A' ' 28' ' ' THR . 4.9 t70 -61.52 -42.78 99.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.409 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -63.04 -37.59 87.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.378 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.812 HG22 ' HA ' ' A' ' 36' ' ' THR . 1.7 t -56.49 -49.35 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -48.41 81.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.897 HG23 ' O ' ' A' ' 24' ' ' ASP . 50.3 p -60.47 -34.76 74.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.383 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.556 ' CG ' HG21 ' A' ' 35' ' ' ILE . 16.5 mmtt -82.39 -14.5 55.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.1 130.02 6.9 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.415 HD13 HG21 ' A' ' 36' ' ' THR . 0.2 OUTLIER -67.24 -29.47 69.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.411 ' CG ' ' O ' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -90.59 2.52 55.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.62 164.09 41.49 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.004 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' MET . 18.2 Cg_endo -75.03 -45.97 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.556 HG21 ' CG ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -41.04 -29.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.812 ' HA ' HG22 ' A' ' 26' ' ' VAL . 39.4 m -61.41 -49.45 76.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.374 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -64.26 -42.01 96.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.46 -51.7 66.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -59.86 -47.22 86.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.475 HG21 ' CE2' ' A' ' 140' ' ' PHE . 6.4 t -59.63 -39.66 80.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 45' ' ' SER . 0.6 OUTLIER -71.25 -24.62 62.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -61.7 -54.46 42.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.998 HD13 HD11 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -71.21 -48.02 53.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.49 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 18.2 mtt -67.96 -10.7 55.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' GLU . 78.7 p -37.65 -31.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.014 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.5 OUTLIER -110.74 165.02 13.48 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.0 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 149.94 37.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.532 1.806 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.835 HD13 HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -150.85 173.96 13.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.9 OUTLIER -78.87 165.09 51.66 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -30.4 7.25 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.451 ' O ' ' OG1' ' A' ' 54' ' ' THR . 27.9 t60 -65.93 -47.89 73.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.576 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -64.81 -31.16 72.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.835 HG23 HD13 ' A' ' 48' ' ' LEU . 3.5 t -59.51 -47.66 90.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.531 HG22 ' CE ' ' A' ' 70' ' ' MET . 4.6 p -66.4 -41.49 89.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.401 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.537 ' O ' HG23 ' A' ' 59' ' ' VAL . 11.0 t-20 -68.02 -35.08 77.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.998 HD11 HD13 ' A' ' 43' ' ' LEU . 1.1 tt -70.37 -53.55 16.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.639 ' HG3' HD21 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -61.17 -41.53 96.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 111.004 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 61' ' ' LEU . 1.9 ttt180 -55.57 -36.93 67.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.579 HG11 HG22 ' A' ' 19' ' ' ILE . 39.9 t -69.41 -34.23 61.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.622 ' HB ' HD23 ' A' ' 61' ' ' LEU . 7.2 mt -77.57 -43.89 29.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.641 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -119.79 126.94 52.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.469 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -53.28 -170.1 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.4 ' O ' ' HB3' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.04 -19.07 18.12 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.517 1.799 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.946 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -70.17 -59.68 4.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.097 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.946 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.99 1.81 7.32 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.509 1.794 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.57 ' CE1' ' SD ' ' A' ' 70' ' ' MET . 39.0 t80 -71.72 -47.65 52.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.78 75.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.727 ' HB3' HG22 ' A' ' 143' ' ' VAL . 6.2 mp -65.68 -45.03 84.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.551 ' CZ2' ' SD ' ' A' ' 57' ' ' MET . 71.0 t90 -69.33 -36.79 77.3 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.57 ' SD ' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -64.44 -44.75 90.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -65.54 -42.46 91.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' A' ' 139' ' ' ALA . . . -69.57 -36.64 76.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.519 ' CZ3' ' CG2' ' A' ' 54' ' ' THR . 14.7 t90 -66.65 -37.33 84.58 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.406 ' O ' ' NE2' ' A' ' 78' ' ' GLN . . . -60.97 -42.4 99.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.03 -47.17 79.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.786 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.455 ' OE1' ' CB ' ' A' ' 138' ' ' GLN . 45.0 mm-40 -57.94 -43.8 86.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.745 ' CD2' HD13 ' A' ' 106' ' ' LEU . 1.3 mt -64.2 -45.43 88.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.409 ' HA ' HD13 ' A' ' 103' ' ' LEU . 39.0 mt-30 -61.22 -31.71 71.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 76' ' ' GLN . 1.3 m -63.64 -38.47 91.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.386 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.75 -34.82 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.497 ' CG1' HD12 ' A' ' 103' ' ' LEU . 29.5 mm -71.81 -50.12 40.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.91 -47.08 86.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.56 -48.38 77.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.412 ' HB3' HG21 ' A' ' 101' ' ' THR . . . -61.45 -47.85 83.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 m -58.88 -31.2 68.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -74.96 -43.12 55.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -121.26 114.6 31.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 54.38 3.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -142.53 14.66 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.447 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -85.08 140.31 36.97 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.626 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -21.39 15.85 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.473 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -63.47 -22.19 66.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.481 ' CA ' ' HB ' ' A' ' 101' ' ' THR . 15.5 p30 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.481 ' HB ' ' CA ' ' A' ' 93' ' ' ASN . 9.0 t -74.33 147.89 41.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.54 147.62 52.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.509 HD11 ' HB3' ' A' ' 77' ' ' LEU . 5.5 tp -64.41 -45.77 86.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.469 ' HA ' ' CG ' ' A' ' 107' ' ' LYS . 56.6 t0 -57.58 -37.85 73.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.19 -35.18 59.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.745 HD13 ' CD2' ' A' ' 77' ' ' LEU . 46.9 mt -86.05 -29.97 23.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.469 ' CG ' ' HA ' ' A' ' 104' ' ' ASP . 11.9 mmtt -47.18 -44.42 22.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 103.71 4.86 45.61 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.72 4.74 53.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.787 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.444 ' HB3' ' CE ' ' A' ' 113' ' ' MET . . . -58.81 132.11 52.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.86 135.13 7.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.09 -18.86 37.9 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.529 ' SD ' HD21 ' A' ' 124' ' ' LEU . 5.1 mtt -102.4 -2.4 28.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 0.798 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 1.7 t -93.57 122.18 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 78.43 2.13 83.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -123.19 107.1 32.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.321 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -77.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -53.95 -35.38 61.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -66.85 -39.41 93.43 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.532 ' CG ' HD11 ' A' ' 124' ' ' LEU . 6.6 tt0 -64.64 -43.77 92.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.754 . . . . 0.0 110.324 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.78 -33.83 76.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.21 -24.96 51.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.523 HD13 ' CG ' ' A' ' 113' ' ' MET . 0.2 OUTLIER -79.03 -31.49 44.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.532 HD11 ' CG ' ' A' ' 120' ' ' GLN . 1.5 mt -86.78 177.71 7.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.444 ' NH1' ' HB2' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -109.1 156.84 38.51 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.304 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 108.84 2.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.559 1.821 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.99 -36.6 1.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.473 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 6.7 mt-10 -67.07 -31.88 72.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.536 ' HA ' HD12 ' A' ' 132' ' ' ILE . 3.5 mt -60.09 -49.04 79.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.54 -39.45 81.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.22 -44.44 88.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 129' ' ' LEU . 5.9 mt -68.63 -38.83 79.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.488 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 62.5 m -63.51 -43.88 95.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.96 -47.93 67.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.4 m -58.77 -33.86 70.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.958 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.42 -43.12 91.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.49 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -65.4 -36.77 84.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.455 ' CB ' ' OE1' ' A' ' 76' ' ' GLN . 6.1 mm-40 -64.3 -43.62 94.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.41 ' HA ' ' HB1' ' A' ' 72' ' ' ALA . . . -67.62 -32.28 72.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.475 ' CE2' HG21 ' A' ' 40' ' ' VAL . 2.4 t80 -61.97 -49.06 77.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.943 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -31.38 71.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -61.8 -41.86 98.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.727 HG22 ' HB3' ' A' ' 68' ' ' LEU . 77.8 t -77.87 -43.21 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.411 ' O ' ' CG ' ' A' ' 32' ' ' ARG . . . -55.19 -49.99 70.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 152' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 155' ' ' ASP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.033 -0.41 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' TRP . . . . . 0.82 ' HA ' HD12 ' A' ' 156' ' ' ILE . 18.5 p90 -51.75 -30.97 24.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 108.02 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.19 -31.88 73.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 152' ' ' PRO . 32.1 t70 -79.25 -22.07 45.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.82 HD12 ' HA ' ' A' ' 153' ' ' TRP . 9.5 mt -83.55 120.68 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.57 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 64.8 p -131.25 144.7 51.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' GLN . . . . . 0.561 ' HG2' ' CD2' ' A' ' 167' ' ' PHE . 0.0 OUTLIER -79.46 122.55 26.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 110.313 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 159' ' ' GLY . . . . . 0.454 ' N ' ' OE1' ' A' ' 158' ' ' GLN . . . -111.46 163.36 12.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.42 15.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.88 -30.25 35.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.011 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -102.78 135.59 44.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.4 t -57.25 132.85 54.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.086 . . . . 0.0 110.01 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.572 ' CE2' HG23 ' A' ' 219' ' ' ILE . 1.7 t80 -56.79 -52.46 64.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.866 HG23 HG21 ' A' ' 219' ' ' ILE . 0.3 OUTLIER -59.73 -48.2 88.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.484 ' N ' ' CG1' ' A' ' 165' ' ' VAL . 2.0 t0 -56.56 -44.65 81.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.762 ' CZ ' HD12 ' A' ' 171' ' ' LEU . 1.1 t80 -65.86 -38.99 90.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -56.82 -33.74 67.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -69.29 -49.56 54.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.419 ' NH2' ' HD2' ' A' ' 173' ' ' LYS . 3.3 mmp_? -60.59 -37.09 80.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.276 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.762 HD12 ' CZ ' ' A' ' 167' ' ' PHE . 5.2 tt -72.36 -49.08 36.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.554 HG12 HD13 ' A' ' 189' ' ' ILE . 55.1 mt -56.48 -46.7 82.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 173' ' ' LYS . . . . . 0.419 ' HD2' ' NH2' ' A' ' 170' ' ' ARG . 0.2 OUTLIER -60.18 -39.93 88.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.603 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -63.24 -44.92 93.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 0.694 HG11 ' HB3' ' A' ' 185' ' ' ARG . 22.6 t -65.47 -38.49 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -36.78 58.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -106.16 24.51 26.17 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 4.2 p -108.74 166.45 10.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 0.76 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -78.88 66.48 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.646 HD11 HG11 ' A' ' 188' ' ' VAL . 7.7 mt -131.33 140.97 40.13 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.2 Cg_endo -75.03 157.58 42.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 182' ' ' PRO . . . . . 0.517 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.3 Cg_endo -74.96 82.02 2.08 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 183' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.6 OUTLIER 157.89 -31.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.71 ' O ' HG23 ' A' ' 188' ' ' VAL . . . -84.81 -18.92 33.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 185' ' ' ARG . . . . . 0.694 ' HB3' HG11 ' A' ' 175' ' ' VAL . 58.6 mtm180 -75.29 -21.56 58.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.959 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . -64.01 -58.4 14.69 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 187' ' ' PRO . . . . . 0.959 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.1 Cg_endo -75.04 -37.55 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.78 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 184' ' ' ALA . 21.9 t -57.16 -39.86 69.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 189' ' ' ILE . . . . . 0.679 HD12 ' O ' ' A' ' 185' ' ' ARG . 50.3 mt -68.04 -48.33 74.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 190' ' ' ILE . . . . . 0.553 HD11 ' C ' ' A' ' 214' ' ' THR . 65.2 mt -63.0 -42.29 96.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 191' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 195' ' ' GLN . 0.6 OUTLIER -59.12 -40.46 85.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 192' ' ' CYS . . . . . 0.553 ' HB3' HD11 ' A' ' 171' ' ' LEU . 83.0 m -53.61 -45.94 70.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 108.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 193' ' ' PHE . . . . . 0.47 ' N ' ' CD1' ' A' ' 193' ' ' PHE . 6.4 m-30 -62.1 -30.64 71.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 194' ' ' ARG . . . . . 0.604 ' HB3' HG21 ' A' ' 205' ' ' ILE . 0.1 OUTLIER -113.35 29.97 7.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 195' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 191' ' ' ASP . 4.0 mt-30 -119.76 -40.21 2.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.337 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 196' ' ' LYS . . . . . 0.528 ' HG3' HG22 ' A' ' 157' ' ' THR . 0.1 OUTLIER -149.34 63.07 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 197' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 198' ' ' GLN . 2.0 m -146.11 157.87 43.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.967 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 198' ' ' GLN . . . . . 0.426 ' O ' ' O ' ' A' ' 197' ' ' SER . 0.1 OUTLIER -39.29 160.28 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 199' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 198' ' ' GLN . 18.2 Cg_endo -75.02 -32.05 5.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -57.93 -43.78 86.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 41.7 mm -74.9 -45.46 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -60.19 -38.66 83.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -65.57 -34.46 78.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 204' ' ' LEU . . . . . 0.669 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.3 OUTLIER -70.31 -48.94 54.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.604 HG21 ' HB3' ' A' ' 194' ' ' ARG . 0.5 OUTLIER -63.81 -40.02 87.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -64.17 -34.35 77.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -89.49 3.98 50.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 208' ' ' ALA . . . . . 0.523 ' HA ' ' CE2' ' A' ' 221' ' ' TYR . . . -61.33 154.17 64.6 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 209' ' ' PRO . . . . . 0.493 ' HD2' HD11 ' A' ' 212' ' ' LEU . 18.4 Cg_endo -74.96 154.67 42.86 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.485 1.781 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.26 11.11 15.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 17.7 m -94.26 -14.6 25.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 212' ' ' LEU . . . . . 0.7 ' O ' HG23 ' A' ' 213' ' ' THR . 0.2 OUTLIER -135.86 142.45 44.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 213' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.6 p -160.19 46.76 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.386 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 214' ' ' THR . . . . . 0.553 ' C ' HD11 ' A' ' 190' ' ' ILE . 38.1 p -126.54 159.23 64.45 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.397 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.83 3.77 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.549 1.815 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -156.41 -57.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -74.5 -30.4 61.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.244 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 218' ' ' ILE . . . . . 0.511 HG12 HD13 ' A' ' 190' ' ' ILE . 0.7 OUTLIER -63.14 -45.57 98.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 219' ' ' ILE . . . . . 0.866 HG21 HG23 ' A' ' 165' ' ' VAL . 3.4 mt -73.03 -45.68 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -57.23 -36.32 70.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.523 ' CE2' ' HA ' ' A' ' 208' ' ' ALA . 0.8 OUTLIER -71.55 -45.72 61.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.48 HG13 HD13 ' A' ' 204' ' ' LEU . 12.6 t -60.61 -48.7 87.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.593 HD11 ' CG2' ' A' ' 165' ' ' VAL . 83.9 mt -61.93 -37.87 86.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -66.98 -31.91 72.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 225' ' ' ARG . . . . . 0.669 ' HB3' HD11 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -77.57 -40.94 40.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.496 ' HB2' HD12 ' A' ' 18' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 15' ' ' GLU . 18.2 Cg_endo -75.06 -34.43 3.78 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.781 . . . . 0.0 110.97 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.06 -43.79 77.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.496 HD12 ' HB2' ' A' ' 15' ' ' GLU . 39.5 mt -68.69 -41.45 79.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.736 HG21 HD12 ' A' ' 56' ' ' LEU . 23.1 mt -59.86 -37.49 72.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.2 m -66.54 -39.03 88.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 0.0 110.372 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -64.64 -48.46 74.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 110.372 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.45 HD22 ' HG3' ' A' ' 39' ' ' GLU . 3.0 mt -66.46 -41.78 88.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.422 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -59.92 -36.66 77.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.89 -42.2 99.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.501 HG23 ' HG3' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -59.33 -37.46 77.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.414 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.967 HG13 ' OG1' ' A' ' 36' ' ' THR . 13.7 t -61.79 -43.81 97.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -48.3 80.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.7 p -71.11 -30.74 66.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.376 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.788 ' CB ' HG21 ' A' ' 35' ' ' ILE . 17.8 mmtt -82.57 -14.62 54.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 95.83 122.29 3.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.795 HD12 HG12 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -67.7 -27.95 67.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.5 ttt-85 -94.22 1.92 55.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 m -88.76 156.7 49.82 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.953 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 49.41 2.25 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.468 1.773 . . . . 0.0 111.019 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.788 HG21 ' CB ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -131.36 -34.88 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.967 ' OG1' HG13 ' A' ' 26' ' ' VAL . 22.7 m -57.37 -42.6 82.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.396 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.474 ' CE ' ' HG3' ' A' ' 141' ' ' ARG . 0.3 OUTLIER -65.0 -41.19 95.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.65 -53.1 30.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.573 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -59.74 -47.29 86.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 36' ' ' THR . 44.8 t -60.15 -48.52 87.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 45' ' ' SER . 8.0 mt-10 -62.37 -24.41 67.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.346 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -64.45 -55.68 19.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.939 HD11 HD21 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -72.8 -41.3 65.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.519 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 30.8 mtt -73.64 -10.98 60.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 41' ' ' GLU . 8.5 t -38.24 -30.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.985 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -110.95 166.55 10.55 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.955 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 147.12 33.36 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.5 1.789 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.539 HD13 HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -146.99 165.11 30.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.855 HD21 ' HB2' ' A' ' 121' ' ' ALA . 2.5 mm? -67.92 163.13 53.0 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.445 ' O ' HG23 ' A' ' 54' ' ' THR . 18.3 Cg_endo -75.03 -34.08 4.06 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.496 1.787 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -67.99 -40.58 83.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.571 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.416 ' HA ' ' OD1' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -63.9 -33.1 74.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 49' ' ' LEU . 54.7 t -58.29 -45.56 89.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 50' ' ' PRO . 30.7 p -66.57 -44.99 80.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.372 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.474 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -63.85 -35.33 80.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.939 HD21 HD11 ' A' ' 43' ' ' LEU . 3.1 tp -71.57 -52.29 18.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.544 ' HG2' ' CD1' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -58.25 -44.63 88.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' A' ' 61' ' ' LEU . 21.8 ttt180 -57.0 -36.45 70.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 55' ' ' ASN . 21.9 t -70.66 -35.09 59.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.534 ' HB ' HD23 ' A' ' 61' ' ' LEU . 5.1 mt -77.16 -43.58 31.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.592 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -123.54 133.59 53.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.46 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -50.1 -176.69 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.416 ' O ' ' HB3' ' A' ' 66' ' ' TYR . 18.4 Cg_endo -75.0 -18.13 18.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.953 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.42 -59.76 3.01 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.953 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.0 0.5 8.83 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.444 1.76 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.422 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 27.2 t80 -75.16 -44.86 44.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.46 -29.84 68.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.734 ' HB3' HG22 ' A' ' 143' ' ' VAL . 6.9 mp -68.56 -44.38 74.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.544 ' CD1' ' HG2' ' A' ' 57' ' ' MET . 16.1 t90 -70.57 -39.84 73.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.044 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.407 ' HE1' HG22 ' A' ' 54' ' ' THR . 2.0 mmt -60.7 -41.23 94.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -70.65 -44.8 66.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.511 ' O ' ' NE2' ' A' ' 76' ' ' GLN . . . -67.72 -30.34 69.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.512 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 19.6 t90 -66.77 -37.28 84.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 108.018 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.34 -41.8 98.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.4 t -68.08 -46.86 80.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.511 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 2.8 mp0 -59.21 -46.54 88.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.793 ' CD2' HD13 ' A' ' 106' ' ' LEU . 2.8 mt -58.54 -44.05 89.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.405 ' N ' HD11 ' A' ' 103' ' ' LEU . 27.9 mt-30 -58.21 -37.07 74.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 76' ' ' GLN . 0.8 OUTLIER -60.48 -35.53 76.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.415 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.1 t -71.16 -37.94 68.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.694 HD11 HD12 ' A' ' 106' ' ' LEU . 6.3 mm -63.84 -49.39 82.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.45 -43.24 81.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.84 -46.47 81.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.57 -35.02 79.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.8 m -66.56 -41.83 88.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.7 mtt85 -69.02 -41.09 78.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -116.08 106.66 49.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 54.28 3.6 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.464 1.771 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -148.04 18.24 1.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 0.2 OUTLIER -83.42 137.11 42.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.588 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.4 Cg_endo -74.96 -22.96 14.35 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.79 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.84 -15.79 45.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.454 ' CA ' ' HB ' ' A' ' 101' ' ' THR . 15.0 p30 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.454 ' HB ' ' CA ' ' A' ' 93' ' ' ASN . 3.5 t -75.38 166.33 23.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -146.31 142.76 28.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.469 ' CD1' HG12 ' A' ' 81' ' ' ILE . 3.6 tp -56.86 -40.86 76.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -63.22 -42.93 99.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -55.07 -45.81 75.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.793 HD13 ' CD2' ' A' ' 77' ' ' LEU . 55.6 mt -70.28 -16.09 62.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.88 -14.64 41.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.37 33.68 8.52 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.516 ' HA ' HG22 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -97.87 6.62 47.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.657 ' HB3' ' HB2' ' A' ' 113' ' ' MET . . . -58.48 138.17 56.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -56.93 123.26 14.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.07 -14.06 54.79 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.657 ' HB2' ' HB3' ' A' ' 110' ' ' ALA . 15.3 mtt -92.76 -21.5 19.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.79 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.516 HG22 ' HA ' ' A' ' 109' ' ' LEU . 1.7 t -78.22 126.08 38.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.05 -6.67 76.33 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.464 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 4.0 t30 -134.75 107.94 10.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.762 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -61.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 111.016 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -54.4 -50.23 68.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -61.79 -37.39 94.23 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.48 1.112 . . . . 0.0 111.034 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 20.8 tt0 -63.9 -44.48 92.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 0.73 . . . . 0.0 110.241 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.855 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -66.53 -31.57 72.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.33 -21.79 55.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.581 HD13 ' HG3' ' A' ' 113' ' ' MET . 0.6 OUTLIER -80.83 -27.57 36.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.535 HD11 HD21 ' A' ' 129' ' ' LEU . 2.0 pp -113.29 118.84 35.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.79 165.14 0.23 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 108.9 2.82 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.555 1.819 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.76 -51.29 0.28 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.475 ' HG3' ' CD2' ' A' ' 106' ' ' LEU . 1.1 tt0 -57.1 -33.18 67.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 0.742 . . . . 0.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.535 HD21 HD11 ' A' ' 124' ' ' LEU . 0.5 OUTLIER -64.99 -38.51 91.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.07 -39.87 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.57 94.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.485 ' CG1' HD22 ' A' ' 106' ' ' LEU . 31.6 mt -69.14 -38.56 78.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.358 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.472 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 87.6 m -65.84 -49.02 69.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.74 91.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 85.4 p -61.78 -33.93 74.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.52 -37.3 86.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.519 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -67.32 -40.07 85.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.453 ' HB3' ' CG ' ' A' ' 76' ' ' GLN . 0.3 OUTLIER -63.64 -40.05 95.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 110.285 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.56 -32.95 74.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.885 ' CE1' HG21 ' A' ' 36' ' ' THR . 1.5 t80 -64.87 -57.07 9.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.474 ' HG3' ' CE ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -53.79 -27.59 30.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -68.17 -39.05 82.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.734 HG22 ' HB3' ' A' ' 68' ' ' LEU . 41.0 t -80.65 -41.52 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.9 -47.76 73.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.252 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 110.265 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 152' ' ' PRO . . . . . 0.405 ' O ' ' N ' ' A' ' 155' ' ' ASP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' TRP . . . . . 0.844 ' HA ' HD12 ' A' ' 156' ' ' ILE . 1.1 p90 -51.18 -33.04 25.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 108.021 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.71 -33.49 75.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 152' ' ' PRO . 89.3 m-20 -80.94 -20.78 41.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.844 HD12 ' HA ' ' A' ' 153' ' ' TRP . 31.1 mt -82.03 121.15 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.91 HG22 ' HD2' ' A' ' 196' ' ' LYS . 24.1 p -124.24 136.79 54.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' GLN . . . . . 0.583 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 16.9 tp60 -75.24 112.93 12.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -114.17 162.6 12.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -26.19 11.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 80.7 p -71.69 -31.6 66.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.028 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -98.57 136.2 39.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.72 147.12 23.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -66.34 -52.09 50.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.869 HG22 ' CG2' ' A' ' 219' ' ' ILE . 1.4 t -65.74 -46.95 87.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -55.69 -47.56 76.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.73 ' CE1' HG22 ' A' ' 156' ' ' ILE . 64.9 t80 -69.26 -26.54 64.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -66.25 -50.07 65.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -57.38 -41.96 81.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -61.17 -37.13 81.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.685 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.2 OUTLIER -72.45 -48.84 37.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.431 HG12 HD13 ' A' ' 189' ' ' ILE . 16.2 mt -57.62 -38.58 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -66.28 -37.67 85.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.438 ' HB2' HD11 ' A' ' 156' ' ' ILE . . . -67.16 -52.9 35.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 0.533 HG13 HD12 ' A' ' 180' ' ' LEU . 54.5 t -58.73 -46.07 90.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -52.53 -33.21 44.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -108.83 26.37 15.98 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 178' ' ' SER . . . . . 0.418 ' HG ' HD12 ' A' ' 180' ' ' LEU . 10.0 p -112.66 166.19 11.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 0.799 . . . . 0.0 110.016 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -92.15 83.25 5.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.662 HD11 ' CZ3' ' A' ' 153' ' ' TRP . 22.2 mt -126.71 154.9 75.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.535 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.4 Cg_endo -74.99 163.27 35.7 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.476 1.777 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 182' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.2 Cg_endo -75.01 81.92 2.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.459 1.768 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 183' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.4 OUTLIER 159.18 -26.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.535 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -84.08 -11.3 56.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 185' ' ' ARG . . . . . 0.513 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 20.3 mtm180 -84.11 71.3 10.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.92 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 174.3 -56.95 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 187' ' ' PRO . . . . . 0.92 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -75.01 -26.75 10.6 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.781 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 7.9 t -69.89 -41.08 79.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 189' ' ' ILE . . . . . 0.658 HD12 ' HG3' ' A' ' 215' ' ' PRO . 50.5 mt -68.1 -48.28 74.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 190' ' ' ILE . . . . . 0.833 HD11 ' C ' ' A' ' 214' ' ' THR . 77.1 mt -63.1 -40.11 87.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 191' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 195' ' ' GLN . 9.2 t0 -62.2 -38.95 91.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 192' ' ' CYS . . . . . 0.429 ' SG ' HD21 ' A' ' 171' ' ' LEU . 65.2 m -54.1 -44.18 71.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 108.352 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 193' ' ' PHE . . . . . 0.501 ' CD2' ' HA ' ' A' ' 190' ' ' ILE . 18.0 m-30 -60.02 -38.38 82.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 194' ' ' ARG . . . . . 0.479 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 0.0 OUTLIER -106.1 27.68 8.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 195' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 191' ' ' ASP . 1.0 OUTLIER -113.98 -39.09 4.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.235 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 196' ' ' LYS . . . . . 0.91 ' HD2' HG22 ' A' ' 157' ' ' THR . 0.0 OUTLIER -151.35 63.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.35 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 197' ' ' SER . . . . . 0.478 ' HB2' ' CG ' ' A' ' 158' ' ' GLN . 0.4 OUTLIER -148.64 164.54 34.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 198' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 197' ' ' SER . 0.5 OUTLIER -40.95 163.7 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 199' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 203' ' ' GLN . 18.2 Cg_endo -75.04 -32.34 5.41 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.801 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -63.86 -46.39 85.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 19.1 mm -69.51 -45.8 77.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -64.07 -42.4 96.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 203' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 199' ' ' PRO . 6.0 tp60 -64.17 -30.36 71.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 204' ' ' LEU . . . . . 0.857 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.2 OUTLIER -70.66 -49.8 43.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.479 ' CG2' ' HB3' ' A' ' 194' ' ' ARG . 0.7 OUTLIER -63.86 -44.04 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.92 -33.8 76.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -92.54 5.59 50.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 208' ' ' ALA . . . . . 0.524 ' HA ' ' CZ ' ' A' ' 221' ' ' TYR . . . -60.42 160.47 17.97 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.24 33.6 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.65 8.28 14.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.015 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 3.8 t -92.06 -5.26 53.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.437 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 212' ' ' LEU . . . . . 0.747 ' O ' HG23 ' A' ' 213' ' ' THR . 2.5 pp -155.07 151.64 28.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 213' ' ' THR . . . . . 0.747 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.6 p -161.22 49.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 214' ' ' THR . . . . . 0.833 ' C ' HD11 ' A' ' 190' ' ' ILE . 33.4 p -114.59 156.91 44.08 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 215' ' ' PRO . . . . . 0.658 ' HG3' HD12 ' A' ' 189' ' ' ILE . 18.4 Cg_endo -74.98 10.98 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.48 1.779 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 216' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 214' ' ' THR . . . -116.03 -51.07 0.41 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 217' ' ' GLU . . . . . 0.431 ' OE1' ' CB ' ' A' ' 212' ' ' LEU . 12.4 mt-10 -64.56 -48.7 74.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 218' ' ' ILE . . . . . 0.615 HD12 HD13 ' A' ' 212' ' ' LEU . 1.5 mp -54.09 -32.8 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 219' ' ' ILE . . . . . 0.869 ' CG2' HG22 ' A' ' 165' ' ' VAL . 3.7 mm -62.2 -52.85 55.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.083 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -45.3 89.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.744 ' CZ ' HD23 ' A' ' 204' ' ' LEU . 2.3 t80 -56.09 -51.03 69.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.526 ' HA ' HD22 ' A' ' 204' ' ' LEU . 2.4 t -59.87 -51.61 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.865 HD11 HG21 ' A' ' 165' ' ' VAL . 91.9 mt -56.71 -35.76 68.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -65.98 -47.26 75.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 225' ' ' ARG . . . . . 0.857 ' HB3' HD11 ' A' ' 204' ' ' LEU . 0.6 OUTLIER -65.62 -32.58 74.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.333 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.456 ' O ' ' CG1' ' A' ' 19' ' ' ILE . 10.6 tp10 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -42.12 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.553 1.818 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -48.23 80.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.2 mt -68.6 -46.34 69.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.891 HG21 HD12 ' A' ' 56' ' ' LEU . 46.5 mt -58.28 -38.44 68.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 m -61.3 -40.83 95.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.433 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -66.43 -48.49 69.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.603 HD21 ' HG2' ' A' ' 39' ' ' GLU . 3.5 tt -61.09 -43.65 98.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.82 -32.41 70.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.946 ' O ' HG23 ' A' ' 28' ' ' THR . 0.5 OUTLIER -62.3 -40.35 95.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.517 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -62.69 -38.26 89.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.812 HG13 ' OG1' ' A' ' 36' ' ' THR . 15.2 t -58.81 -46.53 90.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -64.73 -48.34 74.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.248 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.946 HG23 ' O ' ' A' ' 24' ' ' ASP . 52.5 p -61.38 -37.82 84.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.381 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 25' ' ' THR . 7.3 mmmt -82.57 -12.69 57.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.57 124.96 4.79 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.757 HD12 HG12 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -67.44 -21.98 65.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 0.73 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 mtp85 -89.32 0.36 56.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.69 161.17 45.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.98 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -11.04 21.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.487 1.782 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.403 HD12 ' HE3' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -69.53 -29.1 40.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.812 ' OG1' HG13 ' A' ' 26' ' ' VAL . 18.1 m -61.55 -49.14 77.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.33 -34.41 78.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.44 -52.54 25.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.603 ' HG2' HD21 ' A' ' 22' ' ' LEU . 3.6 mt-10 -61.4 -45.62 93.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.343 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 36' ' ' THR . 63.0 t -59.55 -47.67 90.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.498 ' HG3' HD22 ' A' ' 137' ' ' LEU . 9.7 mt-10 -63.25 -23.28 67.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -64.42 -55.49 20.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 1.065 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -72.84 -46.88 50.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.508 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 24.2 mtt -70.76 -10.71 60.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' GLU . 5.4 t -35.93 -34.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.4 OUTLIER -108.92 165.92 11.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.956 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 149.63 37.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.806 . . . . 0.0 111.029 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.825 HD13 HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -146.55 -179.9 7.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.879 HD21 ' HB2' ' A' ' 121' ' ' ALA . 1.5 mm? -80.67 165.44 45.75 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.419 ' HD3' HD13 ' A' ' 49' ' ' LEU . 18.1 Cg_endo -75.04 -35.87 2.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.464 1.771 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.443 ' O ' ' OG1' ' A' ' 54' ' ' THR . 1.3 t-160 -67.96 -40.96 83.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.608 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 0.6 OUTLIER -64.88 -32.38 74.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.825 HG23 HD13 ' A' ' 48' ' ' LEU . 2.7 t -58.56 -46.72 89.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 51' ' ' HIS . 77.4 p -67.32 -42.7 83.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.402 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.482 ' ND2' ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -63.54 -40.17 96.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.065 HD21 ' CD1' ' A' ' 43' ' ' LEU . 7.3 tp -68.37 -51.51 43.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.521 ' HG2' ' CE2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -57.78 -44.09 86.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -55.04 -36.44 65.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.336 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 55' ' ' ASN . 35.6 t -68.89 -33.76 60.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.415 1.072 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.625 ' HB ' HD23 ' A' ' 61' ' ' LEU . 2.9 mt -79.82 -43.95 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.625 HD23 ' HB ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -120.94 131.15 54.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.518 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -54.1 -166.94 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -24.16 13.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.908 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -69.0 -57.69 7.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.908 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -74.98 2.84 6.17 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.545 1.813 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.43 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 54.8 t80 -72.72 -46.4 53.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.91 -29.19 69.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.578 HD23 HG13 ' A' ' 143' ' ' VAL . 3.7 mp -63.55 -48.87 75.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.793 ' CH2' ' CE3' ' A' ' 73' ' ' TRP . 36.3 t90 -69.75 -39.22 76.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 107.981 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.436 ' HE1' ' HB ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -59.37 -45.03 92.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.36 -46.72 79.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.01 -28.57 67.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.793 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 16.8 t90 -71.6 -40.22 69.98 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.3 -48.1 87.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.4 t -68.11 -47.16 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.451 ' OE1' ' CB ' ' A' ' 138' ' ' GLN . 48.9 mm-40 -54.85 -44.46 73.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.585 ' HB3' HD11 ' A' ' 103' ' ' LEU . 2.7 mt -59.76 -45.76 91.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.445 ' HA ' HD13 ' A' ' 103' ' ' LEU . 24.4 mt-30 -60.09 -34.2 73.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 76' ' ' GLN . 0.9 OUTLIER -61.73 -35.67 78.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.409 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.453 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 2.2 t -71.06 -34.33 54.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.536 ' CD1' ' CG2' ' A' ' 101' ' ' THR . 18.6 mm -68.18 -47.95 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.77 -50.94 54.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.71 -40.67 76.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.504 ' HA ' ' CD2' ' A' ' 90' ' ' HIS . . . -62.66 -35.84 80.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.54 -38.45 65.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.375 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.59 -29.3 62.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -118.7 107.0 43.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 54.51 3.68 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.464 1.771 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -156.58 24.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.504 ' CD2' ' HA ' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -89.28 139.04 28.48 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.604 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -21.42 15.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.461 1.769 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.792 ' HB1' ' CG2' ' A' ' 101' ' ' THR . . . -63.05 -24.45 67.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 90' ' ' HIS . 19.2 p30 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.792 ' CG2' ' HB1' ' A' ' 92' ' ' ALA . 18.9 m -70.36 164.73 23.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.399 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.426 ' CB ' ' HD2' ' A' ' 105' ' ' ARG . 6.7 m120 -142.36 120.93 12.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.585 HD11 ' HB3' ' A' ' 77' ' ' LEU . 4.8 tp -61.88 -30.3 70.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.21 -44.78 82.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.426 ' HD2' ' CB ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -57.69 -47.32 82.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.444 HD13 ' CD2' ' A' ' 77' ' ' LEU . 97.2 mt -70.42 -26.73 63.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -54.91 -48.81 72.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.936 ' O ' HG13 ' A' ' 114' ' ' VAL . . . 100.76 5.9 53.14 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.447 1.092 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -89.04 -0.03 57.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.471 ' HB3' ' HG2' ' A' ' 113' ' ' MET . . . -58.72 165.3 2.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.73 122.03 18.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.99 -17.7 44.72 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.963 ' SD ' HD13 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -68.62 -35.98 78.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 110.999 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.936 HG13 ' O ' ' A' ' 108' ' ' GLY . 0.2 OUTLIER -98.41 132.71 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.07 2.01 66.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 71.6 m-80 -155.5 101.67 2.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -61.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.791 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -53.89 -52.73 59.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.87 -33.87 75.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.448 ' CG ' HD11 ' A' ' 124' ' ' LEU . 24.2 tt0 -66.04 -43.72 86.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.879 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -65.94 -31.64 72.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.69 -22.02 54.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.963 HD13 ' SD ' ' A' ' 113' ' ' MET . 2.0 tt -80.64 -38.0 29.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.448 HD11 ' CG ' ' A' ' 120' ' ' GLN . 0.3 OUTLIER -85.63 176.25 8.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.445 ' NH1' ' O ' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -99.01 156.4 35.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.253 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.61 2.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.552 1.817 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 147.63 -38.88 1.05 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -31.97 72.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.415 ' HA ' HD12 ' A' ' 132' ' ' ILE . 3.3 mt -58.79 -48.34 81.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 22.7 t -59.33 -39.92 80.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.57 -47.08 87.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.431 ' CG1' HD22 ' A' ' 106' ' ' LEU . 21.1 mt -61.64 -38.31 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.469 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 24.2 m -68.4 -39.23 81.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.379 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.45 -48.14 65.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 83.8 p -66.3 -34.07 77.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.28 93.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.554 HD21 HG12 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -69.99 -36.88 75.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLN . . . . . 0.451 ' CB ' ' OE1' ' A' ' 76' ' ' GLN . 3.6 mt-30 -67.49 -31.47 71.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.344 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -73.28 -34.96 66.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.669 ' CE1' HG21 ' A' ' 36' ' ' THR . 6.6 t80 -67.25 -55.16 15.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -59.1 -24.86 63.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -66.34 -42.93 87.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.578 HG13 HD23 ' A' ' 68' ' ' LEU . 25.6 t -70.63 -42.72 77.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -67.73 -21.18 65.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' PRO . . . . . 0.57 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.996 -0.424 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' TRP . . . . . 0.683 ' CH2' HD11 ' A' ' 180' ' ' LEU . 29.6 p90 -100.98 -20.36 15.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 107.991 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.5 -33.15 70.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -83.14 -22.13 33.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.683 HG22 ' CE1' ' A' ' 167' ' ' PHE . 67.7 mt -76.0 120.88 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.66 HG23 ' HD2' ' A' ' 196' ' ' LYS . 5.8 m -130.88 143.64 50.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 158' ' ' GLN . . . . . 0.561 ' HG2' ' CD2' ' A' ' 167' ' ' PHE . 0.0 OUTLIER -85.84 120.62 27.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.249 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 159' ' ' GLY . . . . . 0.537 ' O ' ' NE2' ' A' ' 158' ' ' GLN . . . -115.53 166.76 12.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.25 18.87 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.802 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.59 -34.99 53.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -100.48 135.25 42.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.256 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.82 147.23 28.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.605 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.9 OUTLIER -62.85 -51.68 66.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.947 HG23 HG21 ' A' ' 219' ' ' ILE . 0.5 OUTLIER -62.37 -43.2 97.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -58.22 -47.7 82.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.683 ' CE1' HG22 ' A' ' 156' ' ' ILE . 59.1 t80 -64.49 -42.13 96.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.4 ' O ' HD12 ' A' ' 172' ' ' ILE . . . -55.46 -39.72 70.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -61.75 -47.18 86.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 29.1 mmt85 -59.24 -41.19 88.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.592 HD12 ' CZ ' ' A' ' 167' ' ' PHE . 0.5 OUTLIER -66.89 -46.74 73.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.51 HG12 HD13 ' A' ' 189' ' ' ILE . 13.0 mt -58.62 -43.34 87.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -61.46 -38.79 88.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -67.46 -51.2 54.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 0.64 HG13 HD12 ' A' ' 180' ' ' LEU . 24.5 t -57.21 -39.19 65.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.439 ' OE1' ' NH2' ' A' ' 185' ' ' ARG . 0.0 OUTLIER -64.96 -56.22 14.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -50.59 -33.09 25.36 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 41.9 p -73.72 166.04 24.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -102.7 54.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.683 HD11 ' CH2' ' A' ' 153' ' ' TRP . 10.9 mt -69.02 160.08 80.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.628 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.2 Cg_endo -74.93 163.86 34.59 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 182' ' ' PRO . . . . . 0.41 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.3 Cg_endo -75.04 76.73 3.33 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 183' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.4 OUTLIER 165.22 -30.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.628 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -85.71 -11.26 54.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 185' ' ' ARG . . . . . 0.568 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 47.5 mtp180 -87.04 67.49 9.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.845 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 171.57 -55.8 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 187' ' ' PRO . . . . . 0.845 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -75.03 -30.38 7.18 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.768 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.421 HG21 ' HB1' ' A' ' 184' ' ' ALA . 54.7 t -64.13 -38.22 81.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 189' ' ' ILE . . . . . 0.524 HG13 HG21 ' A' ' 175' ' ' VAL . 22.0 mt -68.11 -48.02 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 190' ' ' ILE . . . . . 0.53 ' CD1' ' C ' ' A' ' 213' ' ' THR . 55.7 mt -68.13 -34.94 69.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 191' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 187' ' ' PRO . 16.2 t0 -58.23 -43.51 87.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 21.4 m -59.9 -48.62 80.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 108.253 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 193' ' ' PHE . . . . . 0.472 ' CZ ' HG22 ' A' ' 189' ' ' ILE . 10.6 m-30 -53.69 -40.71 66.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -94.49 10.07 36.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -88.73 -44.08 10.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 196' ' ' LYS . . . . . 0.66 ' HD2' HG23 ' A' ' 157' ' ' THR . 4.7 ttmt -139.12 -90.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 197' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 196' ' ' LYS . 1.8 m 37.8 -156.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.024 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -96.2 169.91 8.31 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 199' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' A' ' 203' ' ' GLN . 18.4 Cg_endo -74.97 -36.07 2.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 200' ' ' ASP . . . . . 0.468 ' CG ' ' N ' ' A' ' 201' ' ' ILE . 3.4 p-10 -65.06 -50.12 67.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.468 ' N ' ' CG ' ' A' ' 200' ' ' ASP . 32.5 mm -68.42 -40.95 83.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -66.94 -40.14 87.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.326 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 203' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 199' ' ' PRO . 5.2 tp-100 -65.3 -31.71 72.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 204' ' ' LEU . . . . . 0.876 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.6 OUTLIER -70.26 -49.93 44.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.578 HG13 HG21 ' A' ' 222' ' ' VAL . 6.2 mt -64.34 -37.49 80.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 14.8 mtt-85 -63.57 -33.59 75.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -87.94 2.96 50.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 208' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -60.01 155.07 46.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 209' ' ' PRO . . . . . 0.659 ' HD2' HD11 ' A' ' 212' ' ' LEU . 18.4 Cg_endo -74.96 155.15 43.1 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.71 26.34 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 3.3 t -111.27 -7.49 14.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.545 1.153 . . . . 0.0 110.454 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 212' ' ' LEU . . . . . 0.659 HD11 ' HD2' ' A' ' 209' ' ' PRO . 0.5 OUTLIER -140.22 167.0 23.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 213' ' ' THR . . . . . 0.536 ' HA ' HD11 ' A' ' 218' ' ' ILE . 0.4 OUTLIER 176.76 43.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 214' ' ' THR . . . . . 0.432 ' C ' HD11 ' A' ' 190' ' ' ILE . 69.5 p -117.43 156.24 49.31 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.415 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 215' ' ' PRO . . . . . 0.478 ' HG3' HD12 ' A' ' 189' ' ' ILE . 18.3 Cg_endo -75.05 54.39 3.65 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.5 1.789 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -156.4 -58.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 217' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 221' ' ' TYR . 1.7 mp0 -74.98 -29.27 60.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 0.744 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 218' ' ' ILE . . . . . 0.536 HD11 ' HA ' ' A' ' 213' ' ' THR . 1.3 mp -66.1 -46.74 87.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 219' ' ' ILE . . . . . 0.947 HG21 HG23 ' A' ' 165' ' ' VAL . 4.1 mt -70.05 -50.56 46.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 220' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 221' ' ' TYR . 0.0 OUTLIER -55.53 -39.88 71.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.437 ' CB ' ' O ' ' A' ' 217' ' ' GLU . 8.4 t80 -63.93 -50.59 68.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.713 HG13 HD13 ' A' ' 204' ' ' LEU . 12.2 t -60.51 -43.87 95.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 36.1 mt -62.4 -40.6 97.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -62.95 -49.99 72.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 225' ' ' ARG . . . . . 0.876 ' HB3' HD11 ' A' ' 204' ' ' LEU . 3.9 tpt180 -60.48 -39.88 89.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.429 ' CD ' HD12 ' A' ' 18' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 15' ' ' GLU . 18.4 Cg_endo -75.02 -26.59 10.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.494 1.786 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 18' ' ' LEU . 9.7 pttt -57.42 -49.93 74.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.429 HD12 ' CD ' ' A' ' 15' ' ' GLU . 27.9 mt -63.7 -37.09 86.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.626 HD13 HD13 ' A' ' 56' ' ' LEU . 18.1 mt -65.29 -37.08 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.401 ' O ' ' CG ' ' A' ' 24' ' ' ASP . 26.1 m -60.04 -37.64 80.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.372 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -48.3 74.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.475 HD21 ' HG3' ' A' ' 39' ' ' GLU . 0.4 OUTLIER -66.5 -40.4 89.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.24 -33.88 77.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.771 ' O ' HG23 ' A' ' 28' ' ' THR . 94.2 m-20 -62.16 -42.71 99.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.498 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.2 m -60.98 -37.93 84.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.395 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.905 ' CG1' HG23 ' A' ' 36' ' ' THR . 63.5 t -62.05 -41.88 92.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -62.74 -48.35 79.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.771 HG23 ' O ' ' A' ' 24' ' ' ASP . 19.1 p -70.37 -29.33 65.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.694 ' CB ' HG21 ' A' ' 35' ' ' ILE . 20.8 mmtt -85.67 -13.86 47.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 97.05 119.02 3.74 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.94 -27.96 69.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 0.738 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.19 -0.25 57.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.01 169.15 15.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.974 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -30.96 6.61 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.694 HG21 ' CB ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -53.06 -22.81 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.905 HG23 ' CG1' ' A' ' 26' ' ' VAL . 50.3 m -65.54 -49.41 69.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 28.0 mmt -64.45 -35.69 81.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.23 -52.02 38.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.524 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -61.17 -47.43 86.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 36' ' ' THR . 53.0 t -60.56 -44.7 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.252 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 45' ' ' SER . 34.6 mt-10 -67.34 -24.35 65.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -62.32 -55.08 31.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.713 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -72.87 -46.62 51.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.357 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.573 ' HB3' HG22 ' A' ' 133' ' ' THR . 27.3 mtt -68.67 -11.25 59.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 41' ' ' GLU . 7.3 t -37.92 -31.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -108.82 165.83 11.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.983 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.86 34.56 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.444 HD13 HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -149.31 172.73 14.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.992 HD21 ' HB2' ' A' ' 121' ' ' ALA . 0.2 OUTLIER -74.91 165.18 56.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.499 ' O ' HG23 ' A' ' 54' ' ' THR . 18.2 Cg_endo -75.06 -31.48 6.09 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -41.29 82.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.616 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.43 ' HA ' ' OD1' ' A' ' 55' ' ' ASN . 48.1 m-20 -63.76 -32.65 74.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 49' ' ' LEU . 41.2 t -59.24 -44.93 93.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 50' ' ' PRO . 29.3 p -66.57 -46.64 75.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.514 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -63.47 -34.08 76.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.713 HD21 ' CD1' ' A' ' 43' ' ' LEU . 11.0 tp -71.82 -53.72 12.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.462 ' HG2' ' CE2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -57.33 -46.09 83.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 61' ' ' LEU . 30.4 ttt180 -56.91 -36.02 69.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 55' ' ' ASN . 17.4 t -71.13 -35.58 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.432 ' HB ' HD23 ' A' ' 61' ' ' LEU . 4.6 mt -77.65 -43.87 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.444 HD22 ' CE2' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -124.75 137.95 54.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.457 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -48.57 178.97 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.488 1.118 . . . . 0.0 111.027 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.425 ' HA ' ' HB3' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.02 -18.83 18.37 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.43 1.752 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.971 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -69.25 -60.21 4.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.971 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.98 -1.3 11.04 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.454 1.765 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.544 ' CZ ' ' SD ' ' A' ' 70' ' ' MET . 34.5 t80 -78.09 -42.01 33.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.26 90.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' A' ' 65' ' ' PRO . 6.0 mp -62.05 -37.34 84.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.667 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 16.0 t90 -67.97 -35.76 78.91 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.544 ' SD ' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -63.55 -44.26 94.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.85 -43.71 98.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.29 -31.34 64.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.667 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 20.4 t90 -65.9 -47.31 75.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 108.015 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.88 -44.01 92.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.3 t -68.02 -44.19 84.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 0.77 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.584 ' O ' HG22 ' A' ' 79' ' ' THR . 80.3 mm-40 -58.49 -46.23 87.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.745 ' CD2' HD13 ' A' ' 106' ' ' LEU . 2.7 mt -57.55 -47.04 83.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.587 ' HG3' HD21 ' A' ' 103' ' ' LEU . 42.7 mt-30 -58.66 -30.26 67.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.584 HG22 ' O ' ' A' ' 76' ' ' GLN . 0.5 OUTLIER -65.66 -35.25 80.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.384 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.709 HG12 HD12 ' A' ' 81' ' ' ILE . 0.9 OUTLIER -71.14 -44.13 74.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.709 HD12 HG12 ' A' ' 80' ' ' VAL . 1.5 mp -64.93 -49.27 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.402 ' HA ' HG22 ' A' ' 85' ' ' THR . . . -65.94 -33.75 76.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 79' ' ' THR . . . -67.61 -44.89 76.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.621 ' HB1' ' HB3' ' A' ' 93' ' ' ASN . . . -65.57 -51.05 62.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.428 ' CB ' ' HD2' ' A' ' 100' ' ' ARG . 1.2 t -62.29 -30.52 71.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.363 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 82' ' ' ALA . 0.9 OUTLIER -75.78 -39.38 57.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.297 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' A' ' 87' ' ' ASP . 3.1 p30 -134.33 119.0 14.07 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 55.12 3.88 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -134.74 15.86 3.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.518 ' CB ' ' OD1' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -91.44 138.95 25.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.643 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.2 Cg_endo -75.02 -22.0 15.23 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.487 1.783 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.403 ' O ' ' HB ' ' A' ' 101' ' ' THR . . . -80.37 -13.11 59.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.621 ' HB3' ' HB1' ' A' ' 84' ' ' ALA . 1.1 p-10 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.428 ' HD2' ' CB ' ' A' ' 85' ' ' THR . 20.3 ttp180 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.595 HG23 HG13 ' A' ' 81' ' ' ILE . 1.5 t -70.51 170.33 12.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.409 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -155.6 152.19 28.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.587 HD21 ' HG3' ' A' ' 78' ' ' GLN . 1.4 tp -55.82 -43.06 76.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -62.87 -43.08 99.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -59.71 -46.81 87.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.333 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.745 HD13 ' CD2' ' A' ' 77' ' ' LEU . 31.0 mt -72.68 -15.99 61.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -78.5 -42.02 30.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 102.16 25.6 7.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.599 ' HA ' HG22 ' A' ' 114' ' ' VAL . 17.2 tp -98.99 5.3 47.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.421 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -60.32 157.01 14.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -56.48 124.47 18.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.99 2.28 71.07 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.542 1.151 . . . . 0.0 110.962 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.639 ' SD ' HD21 ' A' ' 124' ' ' LEU . 30.4 ttm -101.72 -9.47 20.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.764 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.599 HG22 ' HA ' ' A' ' 109' ' ' LEU . 0.9 OUTLIER -92.08 123.16 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 86.45 3.05 84.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.482 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 12.2 t-20 -124.52 103.44 31.93 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -71.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -53.92 -47.21 71.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.01 -36.52 88.74 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.529 ' CG ' HD11 ' A' ' 124' ' ' LEU . 4.2 tt0 -65.49 -43.59 89.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 0.762 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.992 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -65.95 -35.56 80.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.92 -17.72 58.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.466 HD13 ' HE2' ' A' ' 113' ' ' MET . 1.0 OUTLIER -83.42 -36.9 23.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.639 HD21 ' SD ' ' A' ' 113' ' ' MET . 0.2 OUTLIER -87.76 132.94 33.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.41 157.17 3.62 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 109.11 2.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.1 -37.19 1.26 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -33.52 70.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.9 -44.04 94.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 41.6 t -59.8 -39.87 81.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.74 78.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 50.2 mt -67.32 -40.32 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.573 HG22 ' HB3' ' A' ' 44' ' ' MET . 3.7 m -63.4 -49.12 75.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.429 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.33 -47.49 85.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 56.7 m -61.49 -34.02 74.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.976 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.49 -42.93 91.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.511 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -66.42 -35.23 79.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -36.57 81.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.428 1.08 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.401 ' HB3' ' NE1' ' A' ' 69' ' ' TRP . . . -68.37 -32.05 71.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 109.235 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.444 ' CE2' HD22 ' A' ' 61' ' ' LEU . 22.0 t80 -64.41 -62.27 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -52.87 -25.29 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.56 -40.03 77.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.407 HG22 ' HB3' ' A' ' 68' ' ' LEU . 13.6 t -74.17 -41.07 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.46 -46.78 87.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' PRO . . . . . 0.432 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' TRP . . . . . 0.792 ' CH2' HD11 ' A' ' 180' ' ' LEU . 16.5 p90 -51.01 -29.09 11.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 108.0 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -56.75 -32.85 65.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.52 -20.76 39.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.648 HG22 ' CZ ' ' A' ' 167' ' ' PHE . 12.1 mt -80.29 120.34 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.597 ' C ' ' CE2' ' A' ' 167' ' ' PHE . 20.7 m -131.76 125.19 31.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 158' ' ' GLN . . . . . 0.652 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 0.0 OUTLIER -62.83 129.71 41.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.314 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 159' ' ' GLY . . . . . 0.418 ' O ' ' NE2' ' A' ' 158' ' ' GLN . . . -107.23 154.24 16.66 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 111.025 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -18.09 19.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 15.4 p -90.73 -20.03 22.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -104.48 135.39 45.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.328 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 35.7 t -57.58 133.35 55.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 168' ' ' ALA . 2.0 t80 -61.4 -33.02 72.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.95 ' CG2' HD11 ' A' ' 223' ' ' LEU . 1.5 t -70.88 -52.96 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -56.28 -48.94 75.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.652 ' CZ ' ' N ' ' A' ' 158' ' ' GLN . 15.5 t80 -64.7 -33.71 76.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 164' ' ' PHE . . . -60.57 -50.24 74.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 169' ' ' ASN . . . . . 0.556 ' HA ' HG12 ' A' ' 172' ' ' ILE . 50.0 m-80 -52.5 -42.12 64.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -57.74 -37.6 73.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.629 HD11 ' HB3' ' A' ' 192' ' ' CYS . 0.3 OUTLIER -67.57 -32.66 73.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.651 HD13 ' N ' ' A' ' 172' ' ' ILE . 1.5 mm -68.2 -48.59 73.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -62.15 -36.63 82.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.401 ' CB ' HD11 ' A' ' 156' ' ' ILE . . . -68.52 -52.48 31.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 0.699 HG13 HD12 ' A' ' 180' ' ' LEU . 41.6 t -57.04 -45.73 84.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.91 -54.35 48.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -44.53 -34.62 3.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.115 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 3.5 p -77.46 166.06 23.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 110.013 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -103.07 56.47 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.792 HD11 ' CH2' ' A' ' 153' ' ' TRP . 14.8 mt -69.02 159.06 84.66 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.668 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.3 Cg_endo -75.01 165.67 30.82 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.428 1.752 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 182' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.1 Cg_endo -75.05 80.42 2.45 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 183' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.5 OUTLIER 159.74 -27.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.527 1.142 . . . . 0.0 109.962 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.668 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -84.07 -12.73 54.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 185' ' ' ARG . . . . . 0.57 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 24.4 mtm180 -87.9 70.53 9.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.875 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 171.54 -56.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 187' ' ' PRO . . . . . 0.875 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -74.96 -37.04 2.23 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 184' ' ' ALA . 89.0 t -58.14 -41.14 79.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 189' ' ' ILE . . . . . 0.591 HG13 HG21 ' A' ' 175' ' ' VAL . 14.3 mt -63.92 -48.18 87.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 190' ' ' ILE . . . . . 0.596 HG23 HG21 ' A' ' 218' ' ' ILE . 47.7 mt -65.68 -37.35 79.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 191' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 195' ' ' GLN . 0.3 OUTLIER -61.69 -42.58 99.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 192' ' ' CYS . . . . . 0.629 ' HB3' HD11 ' A' ' 171' ' ' LEU . 1.9 m -53.57 -47.78 69.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 108.306 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 193' ' ' PHE . . . . . 0.412 ' HB2' ' O ' ' A' ' 190' ' ' ILE . 17.1 m-30 -55.75 -28.07 54.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 194' ' ' ARG . . . . . 0.511 ' CD ' ' O ' ' A' ' 194' ' ' ARG . 1.1 ppt_? -120.77 30.34 6.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 195' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 191' ' ' ASP . 0.5 OUTLIER -115.63 -56.5 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 196' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 197' ' ' SER . 0.1 OUTLIER -118.03 -43.19 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 197' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 196' ' ' LYS . 0.9 OUTLIER -37.04 155.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 198' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 197' ' ' SER . 1.7 mp0 -41.99 165.06 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -33.61 4.47 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -59.54 -50.36 74.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 8.1 mm -70.2 -41.61 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 202' ' ' GLN . . . . . 0.404 ' OE1' ' C ' ' A' ' 194' ' ' ARG . 3.8 tt0 -61.65 -44.51 96.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -59.97 -30.98 69.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 204' ' ' LEU . . . . . 0.765 HD13 HG13 ' A' ' 222' ' ' VAL . 0.5 OUTLIER -67.7 -46.67 71.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.499 ' CG2' ' HB3' ' A' ' 194' ' ' ARG . 1.5 mp -65.86 -44.84 92.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -33.88 76.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.34 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -92.93 5.2 52.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 208' ' ' ALA . . . . . 0.509 ' HA ' ' CZ ' ' A' ' 221' ' ' TYR . . . -67.37 158.53 81.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 209' ' ' PRO . . . . . 0.833 ' HD2' HD11 ' A' ' 212' ' ' LEU . 18.2 Cg_endo -75.01 154.06 42.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.5 6.74 22.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 211' ' ' THR . . . . . 0.482 ' O ' ' CG2' ' A' ' 211' ' ' THR . 1.0 OUTLIER -92.97 4.55 53.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 212' ' ' LEU . . . . . 0.833 HD11 ' HD2' ' A' ' 209' ' ' PRO . 1.7 pp -154.27 121.37 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 213' ' ' THR . . . . . 0.469 ' C ' ' CD1' ' A' ' 190' ' ' ILE . 1.2 p -140.78 35.84 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.353 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 214' ' ' THR . . . . . 0.483 ' CA ' HD11 ' A' ' 190' ' ' ILE . 3.3 p -121.97 157.72 56.92 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.366 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 57.81 4.69 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -160.83 -52.59 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -74.67 -39.23 62.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 218' ' ' ILE . . . . . 0.601 HD13 ' CD1' ' A' ' 212' ' ' LEU . 15.5 mm -58.58 -37.28 64.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 219' ' ' ILE . . . . . 0.416 HG21 HG22 ' A' ' 165' ' ' VAL . 15.1 mt -71.94 -50.79 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 220' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 221' ' ' TYR . 0.0 OUTLIER -56.38 -33.32 65.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.723 ' CE2' HD22 ' A' ' 204' ' ' LEU . 1.3 t80 -74.76 -46.91 34.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.765 HG13 HD13 ' A' ' 204' ' ' LEU . 8.6 t -60.68 -51.27 75.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.95 HD11 ' CG2' ' A' ' 165' ' ' VAL . 67.4 mt -59.85 -36.03 76.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -71.48 -24.34 61.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 225' ' ' ARG . . . . . 0.488 ' CB ' HD21 ' A' ' 204' ' ' LEU . 2.1 ttm180 -92.32 -10.44 38.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 226' ' ' GLN . . . . . 0.507 ' NE2' HD23 ' A' ' 223' ' ' LEU . 38.4 mt-30 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -41.64 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 111.025 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 27.7 pttt -64.43 -47.23 79.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 15.4 mt -59.16 -37.05 76.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.483 HG23 ' CD1' ' A' ' 56' ' ' LEU . 4.5 mt -65.87 -37.26 79.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.5 m -61.34 -40.6 94.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.415 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -61.34 -48.55 80.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.627 HD23 ' HG2' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -66.41 -36.52 83.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.96 76.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.854 ' O ' HG23 ' A' ' 28' ' ' THR . 0.1 OUTLIER -65.02 -45.47 85.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.453 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.7 m -59.04 -39.24 81.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.603 HG13 ' OG1' ' A' ' 36' ' ' THR . 12.1 t -59.01 -45.79 92.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -66.75 -48.63 68.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.854 HG23 ' O ' ' A' ' 24' ' ' ASP . 35.0 p -68.35 -18.81 64.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.431 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.525 ' HB3' HG21 ' A' ' 35' ' ' ILE . 25.9 mmtt -95.18 -14.55 24.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.51 126.49 4.66 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.403 ' CD2' HG12 ' A' ' 26' ' ' VAL . 2.6 mm? -67.83 -40.01 83.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -88.33 2.52 52.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.349 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 1.4 t -93.47 155.54 40.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.036 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -74.94 102.83 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.525 HG21 ' HB3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER 164.39 -30.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.603 ' OG1' HG13 ' A' ' 26' ' ' VAL . 11.6 m -59.2 -48.28 82.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.434 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.93 -36.91 85.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 111.057 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.6 -52.2 41.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.627 ' HG2' HD23 ' A' ' 22' ' ' LEU . 2.5 mt-10 -60.17 -46.31 90.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 36' ' ' THR . 55.5 t -62.77 -41.09 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.462 ' HG3' ' CD2' ' A' ' 137' ' ' LEU . 12.5 mt-10 -68.26 -25.09 64.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -65.01 -54.23 33.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.701 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -72.14 -46.0 58.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' MET . . . . . 1.019 ' SD ' HD21 ' A' ' 48' ' ' LEU . 0.8 OUTLIER -71.38 -10.86 60.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 41' ' ' GLU . 51.4 p -37.16 -32.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' MET . 1.3 p -106.25 165.42 13.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.994 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 118.99 5.47 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.019 HD21 ' SD ' ' A' ' 44' ' ' MET . 0.4 OUTLIER -108.13 -176.75 3.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.841 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -87.86 164.37 34.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.442 ' HB3' HD13 ' A' ' 132' ' ' ILE . 18.4 Cg_endo -74.95 -41.89 0.6 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -68.16 -40.93 82.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.583 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.9 -34.61 78.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.841 HG23 ' O ' ' A' ' 49' ' ' LEU . 4.9 t -54.88 -46.14 75.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.492 ' HB ' ' CE ' ' A' ' 70' ' ' MET . 27.1 p -66.52 -39.88 88.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.673 ' O ' HG23 ' A' ' 59' ' ' VAL . 7.4 t-20 -65.19 -40.23 93.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.701 HD21 ' CD1' ' A' ' 43' ' ' LEU . 12.2 tp -69.84 -52.11 27.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.445 ' HG2' ' CE2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -56.84 -44.51 82.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 111.005 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' A' ' 61' ' ' LEU . 50.7 ttt85 -56.4 -36.63 69.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.152 . . . . 0.0 110.304 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 55' ' ' ASN . 94.2 t -75.49 -34.88 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.467 ' HB ' HD23 ' A' ' 61' ' ' LEU . 7.8 mt -73.43 -44.17 54.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.665 HD22 ' CE1' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -122.58 136.31 54.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.432 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -50.0 -176.15 0.02 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -19.88 17.56 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.457 1.767 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.963 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.01 -60.22 2.98 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.963 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.98 -0.25 9.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.557 ' CZ ' ' SD ' ' A' ' 70' ' ' MET . 3.1 t80 -77.5 -42.82 34.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.83 -29.66 70.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.759 ' HB3' HG22 ' A' ' 143' ' ' VAL . 7.8 mp -67.51 -41.39 84.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.727 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 22.9 t90 -68.15 -38.78 82.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.031 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.557 ' SD ' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -60.65 -43.74 97.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -65.63 -43.38 89.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.48 -30.66 67.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.727 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 11.9 t90 -68.14 -40.62 82.38 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.85 -45.7 95.35 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.2 t -68.0 -46.89 80.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 0.744 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.456 ' O ' HG22 ' A' ' 79' ' ' THR . 86.7 mm-40 -56.44 -46.29 80.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.775 ' CD2' HD13 ' A' ' 106' ' ' LEU . 2.7 mt -61.78 -38.67 88.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.527 ' HG3' HD21 ' A' ' 103' ' ' LEU . 25.1 mt-30 -67.85 -29.9 69.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.549 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -65.72 -35.55 81.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.435 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.1 t -71.57 -50.96 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 1.036 HD13 HD12 ' A' ' 103' ' ' LEU . 0.9 OUTLIER -59.41 -49.42 83.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.18 -43.8 97.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 79' ' ' THR . . . -56.66 -47.32 80.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.488 ' HB2' ' CB ' ' A' ' 90' ' ' HIS . . . -65.95 -41.42 91.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.2 m -59.77 -36.67 77.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -74.57 -33.09 62.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 110.261 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.446 ' HB2' ' CD ' ' A' ' 89' ' ' ARG . 0.6 OUTLIER -135.01 114.93 11.9 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 55.49 3.92 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.787 . . . . 0.0 111.023 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.446 ' CD ' ' HB2' ' A' ' 87' ' ' ASP . 10.7 ptt85 -138.49 16.15 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.241 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.488 ' CB ' ' HB2' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -92.07 139.67 24.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.579 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -19.64 17.72 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.464 1.771 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.467 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -59.37 -26.83 65.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 90' ' ' HIS . 29.6 p30 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.4 tpp85 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.705 HG23 HG13 ' A' ' 81' ' ' ILE . 1.8 t -72.61 170.14 15.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.396 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -157.31 154.43 29.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 1.036 HD12 HD13 ' A' ' 81' ' ' ILE . 2.4 mp -63.66 -34.42 77.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.112 . . . . 0.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.43 -38.79 92.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -61.19 -47.04 87.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.775 HD13 ' CD2' ' A' ' 77' ' ' LEU . 31.5 mt -70.61 -31.72 68.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.94 -65.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.2 -6.44 5.68 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.461 ' HA ' HG22 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -82.92 5.21 22.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.876 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -59.89 163.87 4.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -70.64 133.32 46.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.157 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 79.93 -3.56 69.83 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.931 ' HE1' HD21 ' A' ' 124' ' ' LEU . 90.1 mtp -103.02 -24.72 13.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 0.758 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 110' ' ' ALA . 1.5 t -80.2 124.71 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.45 -1.11 68.92 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -137.18 98.69 10.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.422 0.719 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.401 ' O ' ' HG2' ' A' ' 120' ' ' GLN . 18.6 Cg_endo -74.95 -46.34 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.487 1.783 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -76.99 -28.79 55.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -75.97 -42.8 23.94 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.482 1.113 . . . . 0.0 111.024 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.428 ' HB2' ' CE ' ' A' ' 113' ' ' MET . 18.5 pt20 -66.07 -40.98 91.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 0.72 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.56 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -61.18 -41.01 96.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.23 -14.91 59.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.366 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.436 ' CD2' ' O ' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -82.4 -35.42 27.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.931 HD21 ' HE1' ' A' ' 113' ' ' MET . 5.0 mt -75.5 -16.89 60.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.59 ' CG ' ' O ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER 81.44 158.16 0.12 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.434 ' N ' ' HD3' ' A' ' 125' ' ' ARG . 18.3 Cg_endo -74.99 107.78 2.57 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 142.76 -37.41 1.53 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.467 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 4.5 mt-10 -65.78 -38.79 89.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.741 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.84 -40.35 94.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.8 t -59.29 -39.67 79.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.68 -39.74 81.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.251 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.442 HD13 ' HB3' ' A' ' 50' ' ' PRO . 28.6 mt -69.07 -38.59 78.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.712 HG23 ' SD ' ' A' ' 44' ' ' MET . 4.5 m -65.52 -48.4 72.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.375 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.76 -45.73 91.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.0 m -64.24 -35.88 82.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.13 85.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.462 ' CD2' ' HG3' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -68.14 -33.03 73.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -71.68 -43.32 66.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.86 -33.04 73.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.665 ' CE1' HD22 ' A' ' 61' ' ' LEU . 6.8 t80 -66.49 -58.52 5.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -53.46 -25.14 15.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.71 -42.16 70.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.759 HG22 ' HB3' ' A' ' 68' ' ' LEU . 3.3 t -67.82 -42.87 86.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -65.55 -47.24 76.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' PRO . . . . . 0.553 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.913 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' TRP . . . . . 0.717 ' CH2' HD11 ' A' ' 180' ' ' LEU . 44.9 p90 -58.12 -24.42 58.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 107.961 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.15 -32.69 74.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.73 -19.88 47.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.633 HG22 ' CE1' ' A' ' 167' ' ' PHE . 8.3 mt -87.02 120.75 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.6 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 3.3 p -130.99 132.04 44.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.383 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 158' ' ' GLN . . . . . 0.648 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 48.6 tp60 -64.69 130.13 42.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -125.17 162.82 19.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -27.32 10.09 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.794 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 4.3 t -69.79 -27.77 65.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -107.67 135.59 48.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.445 ' CB ' ' HB2' ' A' ' 166' ' ' ASP . 0.1 OUTLIER -57.47 142.65 43.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.933 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.59 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.9 OUTLIER -56.0 -52.15 65.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 1.075 HG23 HG21 ' A' ' 219' ' ' ILE . 0.6 OUTLIER -67.43 -38.22 80.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.445 ' HB2' ' CB ' ' A' ' 163' ' ' SER . 0.7 OUTLIER -60.67 -48.36 82.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.648 ' CZ ' ' N ' ' A' ' 158' ' ' GLN . 60.1 t80 -65.96 -39.88 90.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.534 ' HB1' ' CZ ' ' A' ' 193' ' ' PHE . . . -56.51 -39.11 72.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 169' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 165' ' ' VAL . 41.2 m-80 -62.15 -49.84 74.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -58.64 -37.84 76.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.505 HD23 HG23 ' A' ' 175' ' ' VAL . 3.7 tt -70.12 -45.19 67.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.447 HG12 HD13 ' A' ' 189' ' ' ILE . 17.2 mt -60.29 -41.02 85.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -63.12 -36.81 84.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.514 ' CB ' HD11 ' A' ' 156' ' ' ILE . . . -68.9 -52.26 31.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 0.755 HG21 HG13 ' A' ' 189' ' ' ILE . 46.3 t -57.23 -48.06 83.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -53.66 -38.51 64.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -99.84 32.42 7.27 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 15.7 p -119.78 166.14 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 0.788 . . . . 0.0 109.992 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -89.38 83.27 6.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.717 HD11 ' CH2' ' A' ' 153' ' ' TRP . 15.8 mt -128.2 158.88 69.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.535 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.3 Cg_endo -75.02 160.93 39.51 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.547 1.814 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 182' ' ' PRO . . . . . 0.427 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.4 Cg_endo -74.95 78.05 2.97 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.473 1.775 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 183' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 1.0 OUTLIER 164.96 -33.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.535 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -78.65 -10.63 59.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 185' ' ' ARG . . . . . 0.492 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 30.0 mtm105 -83.19 69.12 9.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.9 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 175.2 -56.98 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 187' ' ' PRO . . . . . 0.9 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.4 Cg_endo -74.96 -26.5 10.93 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 79.6 t -69.62 -37.59 74.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 189' ' ' ILE . . . . . 0.755 HG13 HG21 ' A' ' 175' ' ' VAL . 7.7 mt -68.1 -47.28 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 190' ' ' ILE . . . . . 0.934 HD11 ' C ' ' A' ' 214' ' ' THR . 74.9 mt -66.3 -35.25 74.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -59.6 -37.63 79.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 17.6 m -64.94 -46.26 82.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 108.305 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 193' ' ' PHE . . . . . 0.534 ' CZ ' ' HB1' ' A' ' 168' ' ' ALA . 11.6 m-30 -54.02 -38.42 65.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 194' ' ' ARG . . . . . 0.621 ' HB3' HG21 ' A' ' 205' ' ' ILE . 9.4 ptt180 -95.83 7.03 47.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -86.19 -40.94 15.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.265 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 196' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 197' ' ' SER . 5.4 mtpp -139.84 -89.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 197' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 196' ' ' LYS . 2.0 m 38.7 -158.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 198' ' ' GLN . . . . . 0.456 ' O ' ' CB ' ' A' ' 202' ' ' GLN . 2.6 mp0 -94.04 171.5 6.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -38.55 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.522 1.801 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -64.4 -50.26 68.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 33.1 mm -68.38 -35.7 71.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 202' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 198' ' ' GLN . 0.7 OUTLIER -70.07 -42.87 72.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -62.87 -32.05 73.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 204' ' ' LEU . . . . . 0.931 HD21 ' HG3' ' A' ' 225' ' ' ARG . 0.4 OUTLIER -70.53 -49.35 49.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.621 HG21 ' HB3' ' A' ' 194' ' ' ARG . 3.5 mt -63.02 -39.07 83.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.98 -33.88 76.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -89.22 2.88 53.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 208' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -68.11 154.78 93.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 209' ' ' PRO . . . . . 0.457 ' HD2' HD11 ' A' ' 212' ' ' LEU . 18.2 Cg_endo -75.05 151.0 38.77 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.77 15.29 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.24 -8.66 38.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.16 . . . . 0.0 110.417 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 212' ' ' LEU . . . . . 0.758 ' O ' HG23 ' A' ' 213' ' ' THR . 0.2 OUTLIER -139.08 148.74 43.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 213' ' ' THR . . . . . 0.758 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.3 p -161.54 46.95 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.378 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 214' ' ' THR . . . . . 0.94 HG23 ' HD2' ' A' ' 215' ' ' PRO . 1.3 m -122.55 150.83 58.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.4 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 215' ' ' PRO . . . . . 0.94 ' HD2' HG23 ' A' ' 214' ' ' THR . 18.0 Cg_endo -74.99 52.65 3.11 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.784 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -150.02 -60.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -75.72 -34.03 60.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 218' ' ' ILE . . . . . 0.597 HD12 HD13 ' A' ' 212' ' ' LEU . 1.2 mp -59.51 -46.62 92.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 219' ' ' ILE . . . . . 1.075 HG21 HG23 ' A' ' 165' ' ' VAL . 2.6 mt -72.34 -43.44 64.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -32.81 69.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.411 ' CZ ' HD23 ' A' ' 204' ' ' LEU . 3.5 t80 -74.43 -50.64 17.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.977 HG12 ' OE1' ' A' ' 226' ' ' GLN . 24.1 t -60.36 -40.93 85.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.672 HD23 ' OE1' ' A' ' 226' ' ' GLN . 31.2 mt -68.45 -43.33 77.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -64.58 -21.93 66.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 225' ' ' ARG . . . . . 0.931 ' HG3' HD21 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -83.22 -44.94 14.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.341 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 226' ' ' GLN . . . . . 0.977 ' OE1' HG12 ' A' ' 222' ' ' VAL . 6.3 mt-30 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.466 ' CD ' HD12 ' A' ' 18' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 20' ' ' THR . 18.4 Cg_endo -75.02 -25.22 12.03 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 62.4 pttt -57.66 -45.96 84.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.466 HD12 ' CD ' ' A' ' 15' ' ' GLU . 16.1 mt -63.16 -47.93 80.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.536 ' CG2' HD12 ' A' ' 56' ' ' LEU . 10.3 mt -63.57 -36.83 77.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 16' ' ' PRO . 35.5 m -60.21 -37.86 81.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 110.37 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -64.25 -48.57 75.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.436 ' CD2' ' HG3' ' A' ' 39' ' ' GLU . 1.8 mt -66.03 -40.02 90.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.355 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.529 ' HB2' HG12 ' A' ' 60' ' ' ILE . . . -65.72 -33.11 75.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 28' ' ' THR . 0.2 OUTLIER -61.95 -37.74 85.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -67.07 -37.37 83.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.425 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.764 ' CG1' HG23 ' A' ' 36' ' ' THR . 91.5 t -58.01 -46.43 87.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -48.87 79.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 24' ' ' ASP . 64.8 p -65.91 -32.6 74.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.435 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.745 ' CB ' HG21 ' A' ' 35' ' ' ILE . 10.4 mmtt -84.84 -13.36 51.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 89.21 123.95 2.37 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.132 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.481 HD12 HG12 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -67.25 -31.22 71.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.763 . . . . 0.0 109.329 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -93.37 2.16 56.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.73 161.25 25.64 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 35' ' ' ILE . 18.1 Cg_endo -75.01 106.41 2.27 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.745 HG21 ' CB ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER 163.94 -29.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.764 HG23 ' CG1' ' A' ' 26' ' ' VAL . 81.4 m -58.59 -48.77 79.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.375 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -33.22 75.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.27 -52.22 24.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.567 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -61.13 -47.16 87.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 36' ' ' THR . 64.7 t -59.81 -46.75 93.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.596 ' HG3' HD21 ' A' ' 137' ' ' LEU . 33.3 mt-10 -59.74 -24.27 63.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -67.41 -55.78 12.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.796 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -71.7 -43.64 65.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.515 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 29.2 mtt -74.25 -10.82 59.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 44' ' ' MET . 11.6 t -35.75 -41.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.932 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p -101.29 165.16 14.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.0 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 149.62 36.73 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.478 ' H ' HD12 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -148.77 174.04 12.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.72 ' O ' HG23 ' A' ' 53' ' ' VAL . 16.0 mt -80.19 161.56 64.86 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.612 ' O ' HG23 ' A' ' 54' ' ' THR . 18.4 Cg_endo -74.93 -26.36 11.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.52 1.8 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -67.63 -50.28 58.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.604 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -63.65 -32.33 73.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 49' ' ' LEU . 6.9 t -53.95 -46.38 64.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 50' ' ' PRO . 22.9 p -67.03 -37.35 83.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.388 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.402 ' O ' HG23 ' A' ' 59' ' ' VAL . 10.3 t-20 -63.84 -44.01 94.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.796 HD21 ' CD1' ' A' ' 43' ' ' LEU . 11.6 tp -69.97 -50.83 37.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.999 ' O ' HD12 ' A' ' 61' ' ' LEU . 19.3 mmt -57.46 -31.04 65.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.045 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.429 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 0.3 OUTLIER -69.23 -36.5 77.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 55' ' ' ASN . 54.0 t -71.19 -41.44 75.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.529 HG12 ' HB2' ' A' ' 23' ' ' ALA . 32.6 mt -76.0 -44.13 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.999 HD12 ' O ' ' A' ' 57' ' ' MET . 0.1 OUTLIER -113.78 128.79 56.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.487 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -60.86 -167.3 0.36 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.432 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.0 -22.62 14.63 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.451 1.764 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.938 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.46 -58.13 3.97 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.938 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.97 5.14 4.14 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.432 ' HB2' ' HA ' ' A' ' 63' ' ' PRO . 1.2 t80 -76.55 -47.68 21.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.3 -29.83 70.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.706 ' HB3' HG22 ' A' ' 143' ' ' VAL . 6.0 mp -69.0 -45.37 70.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.734 ' CZ3' ' CE3' ' A' ' 73' ' ' TRP . 35.1 t90 -71.0 -35.96 72.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 107.995 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -35.05 77.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -71.06 -46.74 61.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.41 -44.92 73.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.734 ' CE3' ' CZ3' ' A' ' 69' ' ' TRP . 19.0 t90 -52.37 -42.58 64.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 108.015 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.18 -41.17 98.09 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.6 t -68.04 -46.88 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -61.81 -37.32 83.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.795 ' CD2' HD13 ' A' ' 106' ' ' LEU . 3.1 mt -70.84 -37.24 73.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.518 ' HA ' HD13 ' A' ' 103' ' ' LEU . 46.5 mt-30 -69.59 -41.22 76.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -33.9 76.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.61 -45.97 93.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.572 HG13 HG23 ' A' ' 101' ' ' THR . 0.4 OUTLIER -69.6 -47.87 68.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.6 -48.81 76.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.49 -47.45 79.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 87' ' ' ASP . . . -59.46 -48.62 80.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 m -58.71 -30.29 67.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.5 ttt85 -75.58 -36.48 60.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 84' ' ' ALA . 7.1 t0 -135.87 120.15 13.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 55.49 3.95 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.27 13.35 3.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.448 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -90.2 137.52 27.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.594 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -75.0 -21.79 15.48 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.529 1.805 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.446 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -62.29 -23.35 66.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 90' ' ' HIS . 16.5 p30 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.572 HG23 HG13 ' A' ' 81' ' ' ILE . 6.3 t -70.89 163.57 27.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -144.2 145.83 32.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.545 HD12 HD13 ' A' ' 81' ' ' ILE . 4.8 tp -65.91 -46.7 77.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.478 ' HA ' ' CG ' ' A' ' 107' ' ' LYS . 0.8 OUTLIER -53.94 -40.05 66.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.8 mmt-85 -53.71 -36.01 61.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.165 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.795 HD13 ' CD2' ' A' ' 77' ' ' LEU . 13.6 mt -88.25 -24.6 23.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.478 ' CG ' ' HA ' ' A' ' 104' ' ' ASP . 22.5 mmtp -51.03 -42.68 60.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 115.09 22.48 4.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.9 tp -108.51 7.0 26.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.489 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -57.36 155.33 9.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -55.28 121.84 9.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 116' ' ' ASN . . . 87.25 -18.52 36.42 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.49 ' CG ' ' HG3' ' A' ' 120' ' ' GLN . 1.6 ttt -62.62 -32.95 74.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 0.762 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.86 123.07 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 94.43 3.35 63.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 112' ' ' GLY . 9.2 p-10 176.89 86.96 0.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.484 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.0 -36.46 2.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -55.7 -56.75 16.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.14 -31.73 66.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.936 ' OE1' HD22 ' A' ' 123' ' ' LEU . 0.2 OUTLIER -66.44 -41.6 88.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 0.0 110.296 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.25 86.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.68 -13.05 60.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.936 HD22 ' OE1' ' A' ' 120' ' ' GLN . 0.1 OUTLIER -76.63 -37.46 56.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.841 ' N ' HD23 ' A' ' 123' ' ' LEU . 2.0 pp -112.77 147.9 35.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.433 ' HB2' ' HD2' ' A' ' 126' ' ' PRO . 0.0 OUTLIER -76.15 172.44 9.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.341 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 125' ' ' ARG . 18.2 Cg_endo -75.03 108.79 2.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.79 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -179.66 -54.6 0.08 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.446 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 15.6 mt-10 -65.72 -31.23 72.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.681 ' HA ' HD12 ' A' ' 132' ' ' ILE . 3.5 mt -65.6 -43.3 90.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.62 -39.86 77.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.37 80.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.681 HD12 ' HA ' ' A' ' 129' ' ' LEU . 13.5 mt -69.97 -37.53 72.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.506 HG22 ' HB3' ' A' ' 44' ' ' MET . 1.2 m -66.24 -49.57 66.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.55 -48.39 79.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 68.2 p -64.48 -33.66 76.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 132' ' ' ILE . . . -67.86 -43.62 79.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.596 HD21 ' HG3' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -61.22 -37.94 84.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.91 -33.39 74.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.64 -33.62 75.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.564 ' CE1' HG21 ' A' ' 36' ' ' THR . 1.1 t80 -73.79 -53.5 10.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 141' ' ' ARG . 0.0 OUTLIER -56.53 -27.53 57.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.334 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.466 ' N ' ' HD3' ' A' ' 141' ' ' ARG . 5.1 tp10 -74.71 -39.59 61.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.706 HG22 ' HB3' ' A' ' 68' ' ' LEU . 8.9 t -73.21 -43.51 57.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -57.93 -42.94 85.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' PRO . . . . . 0.553 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' TRP . . . . . 0.732 ' CH2' HD11 ' A' ' 180' ' ' LEU . 38.7 p90 -51.16 -29.3 13.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 108.02 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -60.99 -33.22 72.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 152' ' ' PRO . 0.8 OUTLIER -81.59 -22.16 37.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.916 HG22 ' CE1' ' A' ' 167' ' ' PHE . 21.9 mt -73.15 120.74 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.2 p -130.82 133.57 46.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.35 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' GLN . . . . . 0.568 ' HB3' ' CD2' ' A' ' 167' ' ' PHE . 0.0 OUTLIER -100.46 130.05 46.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.337 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -95.79 176.96 33.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' PRO . . . . . 0.416 ' HA ' ' OE1' ' A' ' 198' ' ' GLN . 18.4 Cg_endo -75.0 -17.79 19.24 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 84.1 p -107.75 18.71 21.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -116.81 135.27 53.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.88 131.22 50.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.722 ' CE2' HG23 ' A' ' 219' ' ' ILE . 1.5 t80 -70.2 -43.35 70.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.593 HG22 HG21 ' A' ' 219' ' ' ILE . 2.3 t -67.17 -47.94 80.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -56.31 -47.49 78.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.916 ' CE1' HG22 ' A' ' 156' ' ' ILE . 80.7 t80 -64.99 -33.57 76.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.654 ' O ' HD12 ' A' ' 172' ' ' ILE . . . -63.45 -32.86 74.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -68.7 -48.74 63.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 19.2 mtp85 -61.92 -37.15 83.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.875 HD12 ' CE2' ' A' ' 167' ' ' PHE . 1.0 OUTLIER -70.86 -49.73 42.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.654 HD12 ' O ' ' A' ' 168' ' ' ALA . 17.9 mt -57.76 -42.09 81.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -35.18 79.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.422 ' HB2' HD11 ' A' ' 156' ' ' ILE . . . -68.27 -52.03 38.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 0.641 HG13 HD12 ' A' ' 180' ' ' LEU . 39.1 t -58.33 -42.78 84.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -61.35 -56.12 24.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -59.25 -23.33 57.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.153 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.8 p -74.95 165.95 24.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -103.03 56.52 0.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.732 HD11 ' CH2' ' A' ' 153' ' ' TRP . 14.3 mt -78.89 162.3 65.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.638 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.4 Cg_endo -75.01 164.08 34.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.778 . . . . 0.0 111.057 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 182' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.3 Cg_endo -74.99 80.47 2.42 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 111.034 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 183' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.7 OUTLIER 159.9 -27.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.034 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.638 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -84.11 -11.71 56.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 185' ' ' ARG . . . . . 0.617 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 7.9 mtm180 -86.69 70.98 10.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.901 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 167.97 -56.62 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 187' ' ' PRO . . . . . 0.901 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -75.02 -30.62 6.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.503 HG21 ' HB1' ' A' ' 184' ' ' ALA . 79.5 t -64.9 -43.97 96.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 189' ' ' ILE . . . . . 0.624 HG13 HG21 ' A' ' 175' ' ' VAL . 29.0 mt -63.19 -47.64 91.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 190' ' ' ILE . . . . . 0.726 HD11 ' C ' ' A' ' 214' ' ' THR . 74.9 mt -66.11 -45.77 89.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -58.74 -36.97 75.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 7.2 m -56.78 -48.72 77.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 108.313 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 193' ' ' PHE . . . . . 0.4 ' N ' ' CD1' ' A' ' 193' ' ' PHE . 11.0 m-30 -54.28 -35.71 62.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 194' ' ' ARG . . . . . 0.455 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 0.0 OUTLIER -105.75 20.57 18.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.288 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -102.68 -46.3 4.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.36 63.76 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.163 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 197' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.68 -177.8 4.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.969 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 198' ' ' GLN . . . . . 0.416 ' OE1' ' HA ' ' A' ' 160' ' ' PRO . 2.2 mp0 -52.3 157.82 2.19 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.323 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -35.71 2.97 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -65.55 -47.23 76.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.477 ' O ' HD12 ' A' ' 205' ' ' ILE . 11.6 mm -69.38 -38.87 78.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.05 -45.96 69.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -60.42 -31.11 70.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 204' ' ' LEU . . . . . 0.894 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.4 OUTLIER -70.3 -47.92 58.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 201' ' ' ILE . 0.7 OUTLIER -63.59 -40.16 88.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -33.99 77.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -91.33 5.08 50.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 208' ' ' ALA . . . . . 0.488 ' HA ' ' CE2' ' A' ' 221' ' ' TYR . . . -61.71 154.92 63.94 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 209' ' ' PRO . . . . . 0.692 ' HB2' HG22 ' A' ' 211' ' ' THR . 18.2 Cg_endo -75.06 155.17 42.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.53 1.805 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.94 17.31 5.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.05 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 211' ' ' THR . . . . . 0.692 HG22 ' HB2' ' A' ' 209' ' ' PRO . 9.2 t -102.59 -6.87 22.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 212' ' ' LEU . . . . . 0.75 ' O ' HG23 ' A' ' 213' ' ' THR . 0.5 OUTLIER -145.49 143.46 30.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 213' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.4 p -161.19 45.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.354 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 214' ' ' THR . . . . . 0.726 ' C ' HD11 ' A' ' 190' ' ' ILE . 31.4 p -121.83 157.74 56.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 55.56 4.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.494 1.787 . . . . 0.0 111.005 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -158.79 -56.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.562 1.164 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -74.2 -31.66 62.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 0.0 110.313 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 218' ' ' ILE . . . . . 0.524 HG12 HD13 ' A' ' 190' ' ' ILE . 1.4 mp -63.51 -39.42 85.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 219' ' ' ILE . . . . . 0.722 HG23 ' CE2' ' A' ' 164' ' ' PHE . 6.7 mt -73.41 -49.4 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.65 -42.75 75.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.561 ' CZ ' HD23 ' A' ' 204' ' ' LEU . 2.5 t80 -64.96 -45.21 86.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.503 ' HA ' HD22 ' A' ' 204' ' ' LEU . 3.2 t -60.49 -47.83 91.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.568 HD11 ' CG2' ' A' ' 165' ' ' VAL . 70.7 mt -62.67 -38.03 88.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -63.38 -43.27 98.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 225' ' ' ARG . . . . . 0.894 ' HB3' HD11 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -69.74 -40.32 76.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 1.6 tp10 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 15' ' ' GLU . 18.3 Cg_endo -75.02 -30.8 6.75 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.501 1.79 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -46.51 63.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.6 mt -69.39 -46.82 65.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.574 HG23 ' CD1' ' A' ' 56' ' ' LEU . 37.7 mt -58.14 -36.75 58.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.1 m -67.27 -39.4 86.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -67.26 -49.28 65.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.659 HD23 ' CD ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -66.52 -42.36 87.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.432 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -63.9 -31.83 73.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.849 ' O ' HG23 ' A' ' 28' ' ' THR . 13.0 t70 -61.43 -47.35 86.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 29' ' ' LYS . 1.2 m -61.99 -37.31 84.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.679 HG13 ' CG2' ' A' ' 36' ' ' THR . 2.6 t -58.27 -45.2 89.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -67.42 -48.99 65.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.849 HG23 ' O ' ' A' ' 24' ' ' ASP . 31.1 p -68.23 -19.31 64.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 33' ' ' SER . 18.5 mmtt -95.23 -14.56 23.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.01 131.6 0.27 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.685 HD23 ' N ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -67.58 -17.72 64.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 0.734 . . . . 0.0 109.328 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.83 2.85 50.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 8.0 t -101.92 145.82 31.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.004 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 54.7 3.7 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.434 HD12 ' HD2' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -141.18 -41.3 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.679 ' CG2' HG13 ' A' ' 26' ' ' VAL . 2.6 m -57.11 -42.55 81.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.77 ' SD ' HD23 ' A' ' 137' ' ' LEU . 0.4 OUTLIER -61.45 -44.36 97.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.75 -43.88 74.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.659 ' CD ' HD23 ' A' ' 22' ' ' LEU . 1.9 mt-10 -59.73 -47.56 85.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 36' ' ' THR . 42.9 t -61.36 -45.92 97.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.764 ' HG3' HD22 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -63.75 -23.94 67.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -64.37 -55.35 21.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.62 HD11 HD21 ' A' ' 56' ' ' LEU . 1.2 pp -72.7 -44.53 61.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.764 ' SD ' HG23 ' A' ' 133' ' ' THR . 0.6 OUTLIER -72.73 -9.08 58.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 111.018 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 41' ' ' GLU . 8.6 t -37.82 -31.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 44' ' ' MET . 1.3 p -102.12 165.24 14.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.047 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 140.2 25.04 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.876 HD13 HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -138.62 174.54 10.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.755 ' O ' HG23 ' A' ' 53' ' ' VAL . 11.6 mt -83.42 161.18 57.61 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.659 ' O ' HG23 ' A' ' 54' ' ' THR . 18.3 Cg_endo -75.01 -31.18 6.4 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -66.67 -52.09 48.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.605 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.468 ' OD2' ' N ' ' A' ' 49' ' ' LEU . 1.6 p30 -63.99 -31.75 73.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.876 HG23 HD13 ' A' ' 48' ' ' LEU . 2.3 t -53.58 -46.75 60.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.659 HG23 ' O ' ' A' ' 50' ' ' PRO . 24.8 p -66.91 -41.12 87.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -58.54 -44.03 89.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.62 HD21 HD11 ' A' ' 43' ' ' LEU . 13.1 tp -68.4 -48.28 65.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.998 ' O ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -58.32 -30.57 66.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' A' ' 61' ' ' LEU . 7.3 ttt180 -69.94 -36.16 75.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.62 -39.31 75.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.451 ' CG2' HG11 ' A' ' 26' ' ' VAL . 12.9 mt -79.11 -44.09 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.998 HD12 ' O ' ' A' ' 57' ' ' MET . 0.1 OUTLIER -117.35 136.22 53.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.609 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -67.32 -169.59 4.23 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.5 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.1 Cg_endo -75.03 -19.2 18.0 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.863 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -68.96 -55.99 9.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.863 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.07 -20.04 17.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.509 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 0.6 OUTLIER -53.0 -43.82 66.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 111.043 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.27 -35.39 80.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.704 ' HB3' HG22 ' A' ' 143' ' ' VAL . 7.0 mp -69.73 -42.89 73.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.645 ' CH2' ' CE3' ' A' ' 73' ' ' TRP . 27.2 t90 -71.29 -38.71 71.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 108.013 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.0 mmt -66.72 -35.55 80.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -71.15 -45.45 63.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.78 -34.92 74.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.645 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 18.2 t90 -66.3 -41.22 90.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.022 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.2 -49.43 75.8 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 37.7 t -68.48 -45.87 81.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 109.272 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -54.58 -46.12 73.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.772 ' CD2' HD13 ' A' ' 106' ' ' LEU . 0.8 OUTLIER -55.87 -45.1 78.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -61.86 -37.82 85.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.19 -35.61 73.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.3 t -69.13 -34.57 64.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.556 HG13 HD13 ' A' ' 103' ' ' LEU . 17.5 mm -66.01 -48.26 82.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.93 -36.31 75.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.34 -38.84 91.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.699 ' HB1' ' OD1' ' A' ' 93' ' ' ASN . . . -62.43 -50.4 71.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.14 -29.12 68.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -75.26 -38.86 60.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -114.18 111.03 47.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 55.03 3.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.89 32.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.535 ' CD2' ' HA ' ' A' ' 84' ' ' ALA . 0.3 OUTLIER -83.51 138.18 41.5 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 109.604 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.431 ' HD2' ' ND1' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -75.03 -21.91 15.3 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.789 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.11 -10.82 59.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.699 ' OD1' ' HB1' ' A' ' 84' ' ' ALA . 87.5 m-20 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.435 HG23 HD12 ' A' ' 81' ' ' ILE . 4.2 t -71.07 169.9 14.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.44 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -142.05 140.59 32.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.556 HD13 HG13 ' A' ' 81' ' ' ILE . 5.7 tp -59.23 -29.87 67.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -63.1 -40.35 97.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.947 ' O ' ' HE1' ' A' ' 113' ' ' MET . 4.6 mtt180 -64.14 -46.92 81.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.772 HD13 ' CD2' ' A' ' 77' ' ' LEU . 95.9 mt -69.43 -15.63 63.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.28 -59.93 2.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.235 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.808 ' O ' HG13 ' A' ' 114' ' ' VAL . . . 108.57 30.02 3.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.109 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 109' ' ' LEU . 6.4 tp -107.24 -7.53 16.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.79 162.67 3.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.403 ' O ' HD11 ' A' ' 123' ' ' LEU . 2.1 p-10 -71.61 125.34 26.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.1 -2.38 65.85 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' MET . . . . . 1.018 ' SD ' HD21 ' A' ' 124' ' ' LEU . 0.2 OUTLIER -98.94 -34.41 10.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 0.742 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.808 HG13 ' O ' ' A' ' 108' ' ' GLY . 0.0 OUTLIER -97.93 132.45 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.84 2.73 66.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.12 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -151.96 116.84 3.05 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -74.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -36.24 64.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.66 -39.29 97.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.494 ' OE1' HD13 ' A' ' 49' ' ' LEU . 1.6 tt0 -66.28 -44.37 83.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.57 89.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.88 -16.98 62.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.452 ' C ' HD23 ' A' ' 123' ' ' LEU . 8.9 tt -79.08 -41.53 28.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 1.018 HD21 ' SD ' ' A' ' 113' ' ' MET . 0.1 OUTLIER -91.47 129.74 37.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.445 ' NH1' ' HB2' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -57.5 158.13 11.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 107.98 2.61 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 166.55 -54.77 0.24 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.12 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.5 ' HB2' HD21 ' A' ' 106' ' ' LEU . 2.3 pm0 -57.23 -29.32 63.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.446 ' N ' ' HG2' ' A' ' 128' ' ' GLU . 18.5 mt -57.08 -45.06 83.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 42.2 t -66.47 -39.96 85.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.56 -40.05 81.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 129' ' ' LEU . 21.0 mt -68.83 -38.64 78.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.764 HG23 ' SD ' ' A' ' 44' ' ' MET . 8.8 m -65.41 -49.41 69.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.24 89.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.373 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.41 -36.08 73.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.026 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.59 98.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.77 HD23 ' SD ' ' A' ' 37' ' ' MET . 0.4 OUTLIER -69.92 -33.17 71.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -64.16 -43.12 96.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.55 -33.55 74.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -63.82 -58.72 5.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -54.22 -26.7 29.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -68.75 -43.08 76.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.704 HG22 ' HB3' ' A' ' 68' ' ' LEU . 24.6 t -63.16 -42.76 97.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.25 -22.67 60.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' PRO . . . . . 0.48 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.925 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' TRP . . . . . 0.6 ' CH2' HD21 ' A' ' 180' ' ' LEU . 26.7 p90 -101.11 -26.44 13.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 108.008 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.0 -32.92 66.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.83 -22.1 43.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.81 HG22 ' CE1' ' A' ' 167' ' ' PHE . 52.4 mt -77.5 120.89 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.147 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.601 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 42.0 p -131.32 134.19 46.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.351 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 158' ' ' GLN . . . . . 0.563 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 8.7 tm0? -68.76 124.14 22.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -115.52 160.17 13.42 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -23.65 13.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 89.7 p -73.92 -30.73 62.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 110.006 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -104.22 136.19 44.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 11.1 t -56.76 140.5 47.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.746 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.5 OUTLIER -55.67 -52.42 63.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.992 HG23 HG21 ' A' ' 219' ' ' ILE . 1.0 OUTLIER -60.01 -43.33 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -57.06 -43.99 82.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.81 ' CE1' HG22 ' A' ' 156' ' ' ILE . 56.5 t80 -67.81 -40.77 83.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -58.21 -36.5 73.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -64.86 -49.23 71.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -59.06 -37.42 77.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.656 HD11 ' HB3' ' A' ' 192' ' ' CYS . 0.7 OUTLIER -69.98 -50.57 40.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.532 HG12 HD13 ' A' ' 189' ' ' ILE . 59.5 mt -57.75 -35.49 51.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -37.53 77.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.86 -40.55 79.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 0.704 HG13 HD12 ' A' ' 180' ' ' LEU . 25.4 t -69.89 -41.13 79.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.78 -35.59 81.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -93.54 23.66 29.29 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 60.4 p -124.79 166.12 16.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.775 . . . . 0.0 109.942 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.34 91.32 5.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.704 HD12 HG13 ' A' ' 175' ' ' VAL . 19.6 mt -117.81 158.13 46.42 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.4 16.44 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 182' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.4 Cg_endo -74.94 136.02 19.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 183' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 1.7 t 85.16 -9.03 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -87.9 -18.97 28.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 185' ' ' ARG . . . . . 0.518 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 64.1 mtm180 -86.43 75.34 9.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.901 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 174.76 -56.92 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 187' ' ' PRO . . . . . 0.901 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -74.99 -28.41 9.2 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 43.0 t -66.82 -43.0 89.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 189' ' ' ILE . . . . . 0.557 HG13 HG21 ' A' ' 175' ' ' VAL . 11.9 mt -67.82 -48.36 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 190' ' ' ILE . . . . . 0.766 HG23 HG21 ' A' ' 218' ' ' ILE . 29.1 mt -65.66 -39.49 85.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 191' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 187' ' ' PRO . 17.0 t70 -63.96 -36.39 83.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 192' ' ' CYS . . . . . 0.656 ' HB3' HD11 ' A' ' 171' ' ' LEU . 20.2 m -56.8 -42.79 80.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 108.328 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 193' ' ' PHE . . . . . 0.44 ' CD2' ' HA ' ' A' ' 190' ' ' ILE . 17.7 m-30 -61.15 -50.48 73.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 194' ' ' ARG . . . . . 0.52 ' HB3' HG21 ' A' ' 205' ' ' ILE . 2.5 ptt180 -84.8 14.89 4.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.45 -33.11 10.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -168.87 75.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 197' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 198' ' ' GLN . 51.8 p -141.06 165.93 26.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.993 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 198' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 197' ' ' SER . 2.8 mp0 -43.14 166.35 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -38.89 1.38 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.507 1.793 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -65.42 -50.2 66.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.401 ' HA ' HD13 ' A' ' 201' ' ' ILE . 11.7 mm -61.76 -45.42 98.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.231 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -65.63 -46.02 80.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -60.64 -34.25 74.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 204' ' ' LEU . . . . . 0.876 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.6 OUTLIER -64.3 -49.85 70.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.52 HG21 ' HB3' ' A' ' 194' ' ' ARG . 0.3 OUTLIER -63.93 -39.93 87.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -38.72 92.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -83.84 -11.91 56.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 208' ' ' ALA . . . . . 0.686 ' HB2' ' CE2' ' A' ' 221' ' ' TYR . . . -63.75 161.1 39.68 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 209' ' ' PRO . . . . . 0.5 ' HD2' HD12 ' A' ' 212' ' ' LEU . 18.3 Cg_endo -74.94 155.73 43.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.66 9.26 9.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 46.8 m -92.6 -9.2 41.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 212' ' ' LEU . . . . . 0.818 ' O ' HG23 ' A' ' 213' ' ' THR . 2.7 mt -105.02 132.26 51.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 213' ' ' THR . . . . . 0.818 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.0 OUTLIER -163.33 38.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.442 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 214' ' ' THR . . . . . 0.602 ' C ' HD11 ' A' ' 190' ' ' ILE . 13.3 p -133.82 153.01 79.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.401 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 55.39 3.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 216' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 220' ' ' LYS . . . -164.87 -50.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.536 1.148 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 217' ' ' GLU . . . . . 0.535 ' CD ' ' HG1' ' A' ' 214' ' ' THR . 2.7 mt-10 -71.72 -33.32 68.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.77 . . . . 0.0 110.252 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 218' ' ' ILE . . . . . 0.766 HG21 HG23 ' A' ' 190' ' ' ILE . 33.7 mm -65.05 -50.48 74.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 219' ' ' ILE . . . . . 0.992 HG21 HG23 ' A' ' 165' ' ' VAL . 3.0 mt -72.01 -41.42 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 220' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 216' ' ' GLY . 0.2 OUTLIER -59.24 -38.17 79.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.245 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.732 ' CE2' HD23 ' A' ' 204' ' ' LEU . 15.7 t80 -73.87 -45.11 52.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.513 HG11 ' CE2' ' A' ' 164' ' ' PHE . 2.4 t -60.14 -43.65 93.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.65 -39.7 91.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -63.73 -34.26 77.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 225' ' ' ARG . . . . . 0.876 ' HB3' HD11 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -79.19 -39.74 32.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.01 -25.54 11.75 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.449 1.762 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -65.67 -45.81 81.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.455 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 29.2 mt -69.86 -37.43 76.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.459 HG23 HD13 ' A' ' 56' ' ' LEU . 73.7 mt -71.07 -41.22 76.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 16' ' ' PRO . 52.2 m -68.93 -52.23 31.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.482 ' CG ' ' N ' ' A' ' 22' ' ' LEU . 9.3 ptm180 -57.26 -41.83 80.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 22' ' ' LEU . 2.5 tm? -66.31 -38.6 88.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.49 -31.34 70.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.6 ' O ' HG23 ' A' ' 28' ' ' THR . 22.7 t70 -60.99 -42.38 98.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.52 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 2.6 m -66.89 -37.63 84.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.775 HG22 ' HA ' ' A' ' 36' ' ' THR . 2.1 t -63.27 -43.6 98.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -65.71 -49.15 69.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.6 HG23 ' O ' ' A' ' 24' ' ' ASP . 41.0 p -65.35 -33.47 76.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.372 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.64 ' CB ' HG21 ' A' ' 35' ' ' ILE . 14.2 mmtt -81.36 -12.38 59.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.89 121.61 4.89 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.652 HD21 ' HZ ' ' A' ' 140' ' ' PHE . 1.1 tm? -66.12 -32.58 74.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -89.13 2.6 53.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.29 164.64 40.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.046 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -35.63 2.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.521 1.801 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.64 HG21 ' CB ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -50.31 -23.92 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.775 ' HA ' HG22 ' A' ' 26' ' ' VAL . 52.9 m -58.88 -49.72 76.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 38.6 mmt -64.7 -33.09 75.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.35 -52.33 28.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.624 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -60.09 -47.66 84.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 36' ' ' THR . 57.3 t -58.8 -49.41 82.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.634 ' HG3' HD22 ' A' ' 137' ' ' LEU . 20.4 mt-10 -60.36 -23.1 64.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -64.57 -55.02 23.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.584 HD11 HD21 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -72.88 -40.56 65.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.592 ' HB3' HG22 ' A' ' 133' ' ' THR . 16.1 mtt -76.11 -9.62 58.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 41' ' ' GLU . 5.3 m -33.79 -49.5 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.967 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 p -88.7 161.99 40.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.79 37.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.85 HD13 HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -146.51 -172.37 3.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.57 HD21 ' CB ' ' A' ' 121' ' ' ALA . 0.9 OUTLIER -92.4 164.95 20.82 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -25.97 11.29 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.485 1.782 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.465 ' O ' ' OG1' ' A' ' 54' ' ' THR . 14.7 m170 -67.6 -51.36 51.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 109.614 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.64 ' OD1' HD22 ' A' ' 48' ' ' LEU . 3.3 p30 -65.54 -30.72 71.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.85 HG23 HD13 ' A' ' 48' ' ' LEU . 2.2 t -56.41 -48.31 80.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.592 HG22 ' CH2' ' A' ' 69' ' ' TRP . 38.0 p -65.32 -49.79 68.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 110.401 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.468 ' ND2' ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -56.97 -41.83 79.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.584 HD21 HD11 ' A' ' 43' ' ' LEU . 5.7 tp -65.77 -52.64 49.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.554 ' HG2' ' CD1' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -57.1 -29.42 63.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 61' ' ' LEU . 14.0 ttt-85 -67.92 -36.24 79.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.6 t -74.93 -48.51 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.478 HG13 HD12 ' A' ' 56' ' ' LEU . 2.1 mt -70.12 -44.28 78.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 66' ' ' TYR . 1.5 tm? -107.34 128.5 54.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.426 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -42.63 161.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -25.06 12.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.506 1.793 . . . . 0.0 110.959 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.963 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.46 -59.24 3.27 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.963 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.03 -4.7 15.79 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.708 ' HA ' HD12 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -67.7 -41.38 83.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.058 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.78 -30.07 68.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.569 ' N ' HD12 ' A' ' 68' ' ' LEU . 3.9 mp -71.86 -38.99 69.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.592 ' CH2' HG22 ' A' ' 54' ' ' THR . 3.0 t90 -65.56 -37.74 87.56 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 45.0 tpp -59.29 -42.21 90.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -71.1 -46.44 61.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.24 72.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.524 ' HA ' ' HB2' ' A' ' 139' ' ' ALA . 19.5 t90 -63.9 -41.36 97.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 108.003 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.9 -46.62 93.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 15.2 t -66.19 -39.92 85.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -59.06 -45.62 90.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.632 ' CD2' HD13 ' A' ' 106' ' ' LEU . 3.8 mt -56.02 -46.31 78.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.751 ' HA ' HD13 ' A' ' 103' ' ' LEU . 64.3 mt-30 -63.2 -31.43 72.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -35.04 77.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.405 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.58 HG13 ' CD2' ' A' ' 90' ' ' HIS . 2.6 t -66.96 -34.87 72.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.645 HG13 HG23 ' A' ' 101' ' ' THR . 0.8 OUTLIER -78.01 -50.27 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.18 -37.25 76.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.73 ' HB3' ' CE1' ' A' ' 90' ' ' HIS . . . -65.4 -49.16 70.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.495 ' HB2' ' CB ' ' A' ' 90' ' ' HIS . . . -60.14 -48.47 81.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 m -60.42 -37.01 79.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.1 ttt-85 -75.09 -43.27 54.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -136.14 123.56 14.64 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 54.81 3.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.442 1.759 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -127.51 12.01 6.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.73 ' CE1' ' HB3' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -87.52 140.87 31.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.582 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.497 ' HD2' ' CD2' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -75.0 -26.6 10.75 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.524 1.802 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.06 -12.47 60.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.645 HG23 HG13 ' A' ' 81' ' ' ILE . 5.1 t -77.08 170.01 17.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.443 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.18 148.84 26.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.751 HD13 ' HA ' ' A' ' 78' ' ' GLN . 6.9 tp -61.24 -30.34 70.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -64.75 -41.79 95.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -64.78 -45.43 86.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.669 HD21 ' HB2' ' A' ' 128' ' ' GLU . 10.3 mt -72.97 -15.96 61.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.407 ' CD ' ' O ' ' A' ' 103' ' ' LEU . 1.9 mptp? -70.88 -51.3 27.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.993 ' O ' HG13 ' A' ' 114' ' ' VAL . . . 116.6 10.48 10.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.146 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.4 tp -76.68 -3.02 35.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 0.758 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.57 ' HB3' ' CG ' ' A' ' 113' ' ' MET . . . -58.83 158.29 8.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.07 122.09 17.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 85.01 -11.11 61.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.899 ' SD ' HD21 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -78.87 -31.08 45.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 0.715 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.993 HG13 ' O ' ' A' ' 108' ' ' GLY . 0.0 OUTLIER -98.24 136.41 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.48 3.16 64.98 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -156.24 103.49 2.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -44.05 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -76.94 -34.05 57.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -71.18 -43.21 56.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.51 ' CB ' ' HA ' ' A' ' 113' ' ' MET . 19.6 pt20 -67.02 -43.58 82.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 0.791 . . . . 0.0 110.31 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.57 ' CB ' HD21 ' A' ' 49' ' ' LEU . . . -58.09 -30.9 66.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.12 -30.15 55.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.801 ' C ' HD23 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -84.38 -14.97 48.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.899 HD21 ' SD ' ' A' ' 113' ' ' MET . 40.6 mt -91.68 102.08 14.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.503 ' CD ' ' OE1' ' A' ' 128' ' ' GLU . 0.1 OUTLIER -46.96 159.37 0.38 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 107.76 2.56 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.484 1.781 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.87 -53.83 0.27 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.553 1.158 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.669 ' HB2' HD21 ' A' ' 106' ' ' LEU . 7.5 pm0 -66.66 -31.78 72.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 110.31 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.423 ' N ' ' HG2' ' A' ' 128' ' ' GLU . 27.8 mt -59.17 -40.18 84.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 44.4 t -67.88 -39.14 81.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.89 -39.38 71.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 43.8 mt -66.9 -39.97 84.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.592 HG22 ' HB3' ' A' ' 44' ' ' MET . 1.3 m -65.4 -49.77 68.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.76 -43.9 97.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 6.3 t -63.11 -38.21 90.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.003 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.32 -39.92 94.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.634 HD22 ' HG3' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -66.42 -39.9 89.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.63 -37.6 87.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.524 ' HB2' ' HA ' ' A' ' 73' ' ' TRP . . . -67.8 -33.23 74.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.652 ' HZ ' HD21 ' A' ' 31' ' ' LEU . 19.8 t80 -62.81 -62.11 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -53.02 -24.92 10.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -67.55 -39.0 84.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.432 HG21 ' N ' ' A' ' 69' ' ' TRP . 23.7 t -76.46 -43.08 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.5 -49.97 75.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 152' ' ' PRO . . . . . 0.564 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.846 0 N-CA-C 110.965 -0.437 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' TRP . . . . . 0.66 ' HA ' HD12 ' A' ' 156' ' ' ILE . 37.1 p90 -52.69 -27.46 17.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 108.02 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.49 -32.58 74.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -79.57 -18.52 51.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.88 HG22 ' CE1' ' A' ' 167' ' ' PHE . 9.7 mt -85.24 120.72 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.613 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 39.6 m -125.92 138.67 53.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 158' ' ' GLN . . . . . 0.567 ' HB2' ' CD2' ' A' ' 167' ' ' PHE . 6.7 tm0? -75.73 129.98 37.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -109.11 158.31 14.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -19.0 18.16 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.22 -31.45 33.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.587 1.179 . . . . 0.0 109.948 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.57 135.26 40.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.45 ' OG ' HG12 ' A' ' 165' ' ' VAL . 0.7 OUTLIER -57.66 142.13 46.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.548 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.8 OUTLIER -55.94 -49.43 73.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.897 HG23 HG21 ' A' ' 219' ' ' ILE . 0.8 OUTLIER -62.4 -36.24 73.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.1 -48.58 79.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.88 ' CE1' HG22 ' A' ' 156' ' ' ILE . 84.9 t80 -67.3 -32.99 74.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.473 ' O ' HD12 ' A' ' 172' ' ' ILE . . . -62.36 -34.24 76.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 169' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 165' ' ' VAL . 34.6 m-80 -68.31 -50.62 52.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 1.3 mtp-105 -60.33 -37.28 80.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.271 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.805 HD12 ' CE2' ' A' ' 167' ' ' PHE . 1.2 tt -70.85 -51.34 27.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' ' 168' ' ' ALA . 34.8 mt -57.27 -34.62 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.37 -37.53 77.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.498 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -69.06 -46.58 67.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 0.765 HG21 HG13 ' A' ' 189' ' ' ILE . 25.2 t -61.6 -45.5 98.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.03 -43.11 63.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -94.45 28.24 11.6 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.48 166.23 11.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 0.799 . . . . 0.0 109.993 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -94.43 86.35 4.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.553 HD11 ' CH2' ' A' ' 153' ' ' TRP . 21.5 mt -128.06 158.68 70.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.497 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.2 Cg_endo -74.98 161.9 38.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.792 . . . . 0.0 110.958 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 182' ' ' PRO . . . . . 0.516 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.2 Cg_endo -75.06 83.08 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 183' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.9 OUTLIER 158.81 -35.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.004 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.497 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -82.37 -9.9 59.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 185' ' ' ARG . . . . . 0.565 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 9.0 mtm180 -84.71 70.69 10.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.862 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 171.31 -55.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 187' ' ' PRO . . . . . 0.862 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -74.99 -26.58 10.81 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.449 1.763 . . . . 0.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 7.8 t -66.66 -36.01 76.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 189' ' ' ILE . . . . . 0.765 HG13 HG21 ' A' ' 175' ' ' VAL . 5.4 mt -68.8 -45.47 80.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 190' ' ' ILE . . . . . 0.86 HD11 ' C ' ' A' ' 214' ' ' THR . 66.3 mt -60.83 -35.83 67.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 191' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 195' ' ' GLN . 6.9 t70 -58.21 -48.09 81.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 11.5 m -53.15 -49.14 67.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.315 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 193' ' ' PHE . . . . . 0.7 ' CZ ' ' CG2' ' A' ' 189' ' ' ILE . 8.5 m-30 -54.75 -24.85 24.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 194' ' ' ARG . . . . . 0.501 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 10.8 ptt180 -124.48 29.91 6.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 195' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 191' ' ' ASP . 0.9 OUTLIER -114.43 -56.1 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 196' ' ' LYS . . . . . 0.452 ' HG2' HG23 ' A' ' 157' ' ' THR . 5.2 tttp -118.06 -39.14 3.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 197' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 198' ' ' GLN . 1.1 m -38.8 158.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.031 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 198' ' ' GLN . . . . . 0.41 ' O ' ' O ' ' A' ' 197' ' ' SER . 2.8 mp0 -42.89 166.34 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 199' ' ' PRO . . . . . 0.424 ' HA ' ' HG2' ' A' ' 202' ' ' GLN . 18.3 Cg_endo -75.05 -33.07 4.81 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.37 -34.79 78.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 17.7 mm -78.18 -45.68 26.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 202' ' ' GLN . . . . . 0.424 ' HG2' ' HA ' ' A' ' 199' ' ' PRO . 5.1 pt20 -65.68 -40.39 92.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -62.93 -37.71 88.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 204' ' ' LEU . . . . . 0.801 HD21 ' CG ' ' A' ' 225' ' ' ARG . 0.3 OUTLIER -66.19 -49.1 68.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.541 ' O ' ' HB3' ' A' ' 208' ' ' ALA . 0.5 OUTLIER -62.6 -40.01 86.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -64.0 -36.86 85.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.255 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -86.82 4.0 42.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 208' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -67.76 158.45 83.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 209' ' ' PRO . . . . . 0.482 ' HG2' HD21 ' A' ' 212' ' ' LEU . 18.2 Cg_endo -75.02 155.09 42.83 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.537 1.809 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.26 1.46 44.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 97.2 m -84.97 -2.48 57.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 110.386 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 212' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 213' ' ' THR . 0.0 OUTLIER -145.57 138.13 25.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.351 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 213' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.0 OUTLIER -155.5 43.0 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.411 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 214' ' ' THR . . . . . 0.86 ' C ' HD11 ' A' ' 190' ' ' ILE . 0.4 OUTLIER -134.42 158.91 74.12 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.393 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 215' ' ' PRO . . . . . 0.581 ' HD3' ' CA ' ' A' ' 186' ' ' ALA . 18.4 Cg_endo -75.0 55.18 3.87 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.806 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -148.67 -62.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.71 -32.54 60.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.784 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 218' ' ' ILE . . . . . 0.609 HG12 HD13 ' A' ' 190' ' ' ILE . 1.4 mp -62.87 -51.21 74.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.359 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 219' ' ' ILE . . . . . 0.897 HG21 HG23 ' A' ' 165' ' ' VAL . 4.0 mt -62.26 -50.12 81.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -56.68 -33.74 66.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -74.21 -47.31 36.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.421 HG22 ' HB3' ' A' ' 204' ' ' LEU . 3.8 t -60.47 -49.78 82.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.478 HD11 ' CG2' ' A' ' 165' ' ' VAL . 54.9 mt -57.24 -40.74 78.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.78 -32.88 74.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 225' ' ' ARG . . . . . 0.801 ' CG ' HD21 ' A' ' 204' ' ' LEU . 3.1 tpt180 -74.32 -34.53 63.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.325 179.947 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.416 ' CG ' HD12 ' A' ' 18' ' ' LEU . 2.4 pm0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.427 ' O ' ' CB ' ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.08 -29.52 8.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.79 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -63.4 -50.92 67.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.433 ' N ' ' CG ' ' A' ' 17' ' ' LYS . 82.4 mt -69.75 -45.79 67.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.6 mt -59.26 -37.43 68.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.427 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 1.4 m -62.08 -38.43 88.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.381 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.53 -48.38 75.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.331 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.541 HD23 ' CD ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -66.53 -39.11 88.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.463 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -65.32 -34.65 78.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.776 ' O ' HG23 ' A' ' 28' ' ' THR . 0.3 OUTLIER -62.21 -47.94 82.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.519 HG22 ' OE1' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -59.62 -37.89 79.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.385 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.727 HG13 HG23 ' A' ' 36' ' ' THR . 9.1 t -59.63 -44.11 92.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.14 -48.65 72.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.776 HG23 ' O ' ' A' ' 24' ' ' ASP . 19.7 p -71.92 -15.65 62.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.581 ' CG ' HG21 ' A' ' 35' ' ' ILE . 23.0 mmtm -94.87 -14.74 24.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.88 127.46 3.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.681 ' CD1' HD23 ' A' ' 61' ' ' LEU . 1.1 mt -67.74 -19.05 65.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 0.769 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.2 ptt-85 -95.21 2.04 54.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 12.7 m -89.85 160.38 41.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.022 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -24.4 12.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.798 . . . . 0.0 110.999 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.581 HG21 ' CG ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -62.48 -31.27 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.727 HG23 HG13 ' A' ' 26' ' ' VAL . 3.3 m -66.5 -49.05 67.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.38 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 20.5 mmt -64.72 -38.03 89.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.26 -52.24 29.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.541 ' CD ' HD23 ' A' ' 22' ' ' LEU . 8.3 mt-10 -60.02 -47.29 86.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 36' ' ' THR . 53.0 t -61.3 -39.47 82.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.503 ' HG3' HD21 ' A' ' 137' ' ' LEU . 31.0 mt-10 -69.16 -24.66 64.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.342 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -66.49 -54.75 20.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.497 HD12 ' HG3' ' A' ' 44' ' ' MET . 0.9 OUTLIER -69.0 -48.05 64.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.527 ' HB3' HG22 ' A' ' 133' ' ' THR . 22.1 mtt -71.94 -10.79 60.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' GLU . 57.7 p -35.96 -37.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.19 165.14 14.11 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.66 12.54 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.518 1.799 . . . . 0.0 110.945 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.588 HD13 ' CG2' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -123.34 -174.3 2.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.939 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -88.7 162.6 38.36 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HB3' HD13 ' A' ' 132' ' ' ILE . 18.3 Cg_endo -75.0 -33.91 4.22 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.403 ' O ' ' OG1' ' A' ' 54' ' ' THR . 9.8 t-80 -68.11 -44.6 75.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.55 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 18.8 m-20 -64.27 -32.44 74.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.939 HG23 ' O ' ' A' ' 49' ' ' LEU . 38.3 t -56.43 -47.29 81.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 51' ' ' HIS . 61.0 p -67.54 -45.91 74.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.469 ' C ' ' ND2' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -57.55 -43.85 84.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.517 HD11 HD11 ' A' ' 60' ' ' ILE . 4.0 tp -68.13 -42.08 80.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.973 ' O ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -62.98 -31.23 72.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.411 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 16.1 ttt-85 -68.41 -36.77 79.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.9 t -70.9 -44.77 75.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.517 HD11 HD11 ' A' ' 56' ' ' LEU . 98.6 mt -72.38 -43.3 64.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.973 HD12 ' O ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -120.78 132.5 55.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.496 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -62.13 -166.63 0.53 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.452 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -74.94 -19.58 17.84 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.491 1.785 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.942 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.51 -58.75 3.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.942 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.0 4.51 4.68 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.453 1.765 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.452 ' HB2' ' HA ' ' A' ' 63' ' ' PRO . 2.8 t80 -77.67 -47.51 19.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.59 -30.0 70.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.788 ' HB3' HG22 ' A' ' 143' ' ' VAL . 6.0 mp -68.8 -46.54 68.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.751 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 27.8 t90 -70.68 -41.54 71.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 108.004 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 11.3 mmt -61.9 -38.1 87.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -68.79 -44.21 74.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.89 -28.69 62.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.259 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.751 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 16.8 t90 -71.69 -44.22 64.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 108.042 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.91 -45.31 92.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.38 -46.37 80.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 0.752 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.407 ' O ' ' HB ' ' A' ' 79' ' ' THR . 63.7 mm-40 -55.93 -45.98 78.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 77' ' ' LEU . 2.1 mt -60.73 -45.46 94.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -60.4 -30.21 69.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -67.73 -34.92 77.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.378 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.433 HG12 HD12 ' A' ' 81' ' ' ILE . 3.1 t -67.97 -46.95 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.719 HG13 HG23 ' A' ' 101' ' ' THR . 1.7 mp -66.56 -50.18 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.46 86.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 79' ' ' THR . . . -59.3 -49.24 78.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.537 ' HB1' ' OD1' ' A' ' 93' ' ' ASN . . . -60.48 -49.32 78.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 m -58.95 -29.07 66.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.395 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -74.78 -38.92 62.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -135.13 119.11 13.26 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 54.93 3.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.87 23.57 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 0.2 OUTLIER -87.11 141.69 33.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.573 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.2 Cg_endo -75.0 -22.09 15.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.463 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -75.49 -7.12 53.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.537 ' OD1' ' HB1' ' A' ' 84' ' ' ALA . 92.0 m-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.719 HG23 HG13 ' A' ' 81' ' ' ILE . 13.4 t -72.96 161.35 30.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.387 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.11 155.92 39.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.646 HD12 HD13 ' A' ' 81' ' ' ILE . 0.6 OUTLIER -62.93 -42.98 99.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.63 -39.03 86.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -45.97 92.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.579 HD12 HD11 ' A' ' 81' ' ' ILE . 23.8 mt -75.6 -16.5 60.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.39 -48.04 16.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.403 ' CA ' ' OE1' ' A' ' 120' ' ' GLN . . . 114.41 19.1 6.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.907 ' HA ' HG22 ' A' ' 114' ' ' VAL . 7.2 tp -91.62 6.35 46.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.624 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.66 162.01 4.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -61.15 125.16 22.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 77.8 -1.06 69.24 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.624 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 8.5 mtt -102.37 -21.49 14.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.769 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.907 HG22 ' HA ' ' A' ' 109' ' ' LEU . 10.7 t -69.75 125.3 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 78.83 -3.44 64.58 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -121.99 98.65 44.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -62.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.02 -43.93 70.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.53 -35.65 92.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.558 ' CD ' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -65.77 -42.06 91.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.786 . . . . 0.0 110.31 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.805 ' HB2' HD11 ' A' ' 49' ' ' LEU . . . -65.88 -35.83 81.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.02 -20.16 58.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.521 HD23 ' HA ' ' A' ' 123' ' ' LEU . 1.0 OUTLIER -86.95 -33.3 19.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.558 HD11 ' CD ' ' A' ' 120' ' ' GLN . 5.2 mt -78.94 148.72 32.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -73.62 157.74 87.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 108.24 2.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.31 -42.28 1.09 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.097 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.463 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 1.5 mt-10 -56.56 -34.68 67.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 0.753 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.42 -41.25 96.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 51.8 t -59.33 -39.78 79.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.74 -38.86 76.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.54 ' CG1' HD22 ' A' ' 106' ' ' LEU . 8.2 mt -69.05 -42.16 81.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.527 HG22 ' HB3' ' A' ' 44' ' ' MET . 1.7 m -63.26 -46.25 87.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.386 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.02 99.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 29.1 p -67.48 -33.72 75.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.987 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.18 -42.31 80.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.503 HD21 ' HG3' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -69.18 -36.38 77.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -66.92 -39.52 87.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.21 -30.79 69.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.411 ' CZ ' ' CG2' ' A' ' 36' ' ' THR . 2.4 t80 -65.56 -62.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 2.6 ptp85 -52.8 -26.08 13.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -72.53 -30.39 64.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.788 HG22 ' HB3' ' A' ' 68' ' ' LEU . 3.3 t -84.68 -31.35 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.21 -49.92 25.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 152' ' ' PRO . . . . . 0.462 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' TRP . . . . . 0.747 ' CH2' HD11 ' A' ' 180' ' ' LEU . 38.9 p90 -77.41 -19.3 56.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 108.005 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.83 -32.82 67.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -79.8 -19.22 49.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 153' ' ' TRP . 9.5 mt -84.17 121.0 36.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.596 ' O ' ' CE1' ' A' ' 167' ' ' PHE . 1.9 m -127.37 141.93 51.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 158' ' ' GLN . . . . . 0.555 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 2.9 tm0? -85.77 129.93 34.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 159' ' ' GLY . . . . . 0.433 ' N ' ' OE2' ' A' ' 162' ' ' GLU . . . -127.87 163.72 21.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -27.74 9.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.782 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 3.0 m -67.97 -29.36 68.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.433 ' OE2' ' N ' ' A' ' 159' ' ' GLY . 15.8 pt-20 -102.68 135.65 43.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.405 ' CB ' ' HB2' ' A' ' 166' ' ' ASP . 0.5 OUTLIER -57.3 133.05 54.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.003 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.45 ' CE2' ' CG1' ' A' ' 222' ' ' VAL . 2.4 t80 -55.84 -51.84 66.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.85 HG23 ' CG2' ' A' ' 219' ' ' ILE . 0.3 OUTLIER -62.68 -44.24 99.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.42 ' N ' ' CG1' ' A' ' 165' ' ' VAL . 45.9 m-20 -59.0 -47.83 83.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 157' ' ' THR . 84.4 t80 -64.58 -40.48 95.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.65 -39.76 71.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -63.42 -43.36 97.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -62.86 -37.53 87.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.599 HD11 ' HB3' ' A' ' 192' ' ' CYS . 0.4 OUTLIER -71.3 -45.87 62.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.51 HG12 HD13 ' A' ' 189' ' ' ILE . 23.0 mt -61.25 -38.9 80.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -68.96 -37.44 78.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.497 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -68.51 -41.04 80.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 0.579 HG13 HD12 ' A' ' 180' ' ' LEU . 37.7 t -69.4 -45.25 79.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -55.6 -33.69 64.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -98.55 19.8 52.95 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 25.5 p -112.89 165.81 11.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -93.51 88.8 6.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.747 HD11 ' CH2' ' A' ' 153' ' ' TRP . 16.9 mt -126.57 155.01 75.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.593 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.4 Cg_endo -74.99 162.79 36.57 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 75.67 3.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.792 . . . . 0.0 110.967 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 167.44 -31.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.974 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.593 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -81.49 -11.93 59.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 185' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 7.7 mtm180 -84.43 70.52 10.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.918 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 175.6 -57.4 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 187' ' ' PRO . . . . . 0.918 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.4 Cg_endo -74.98 -29.94 7.73 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 24.5 t -65.2 -41.08 90.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 189' ' ' ILE . . . . . 0.51 HD13 HG12 ' A' ' 172' ' ' ILE . 39.1 mt -66.32 -48.06 82.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 190' ' ' ILE . . . . . 0.668 HD11 ' C ' ' A' ' 214' ' ' THR . 29.6 mt -65.61 -41.92 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 191' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' A' ' 191' ' ' ASP . 31.9 t0 -59.62 -40.56 87.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 192' ' ' CYS . . . . . 0.599 ' HB3' HD11 ' A' ' 171' ' ' LEU . 24.4 m -53.9 -48.5 70.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 193' ' ' PHE . . . . . 0.494 ' CZ ' HG22 ' A' ' 189' ' ' ILE . 7.2 m-30 -53.34 -45.1 68.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 194' ' ' ARG . . . . . 0.655 ' HB3' HG21 ' A' ' 205' ' ' ILE . 0.1 OUTLIER -96.01 20.37 10.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -102.16 -33.9 9.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.09 72.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 197' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 198' ' ' GLN . 4.8 p -147.37 157.04 43.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 198' ' ' GLN . . . . . 0.506 ' HB2' ' HD2' ' A' ' 199' ' ' PRO . 0.3 OUTLIER -39.29 162.35 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 199' ' ' PRO . . . . . 0.506 ' HD2' ' HB2' ' A' ' 198' ' ' GLN . 18.4 Cg_endo -75.03 -30.6 6.95 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.497 1.788 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -45.29 85.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.514 ' CD1' HG11 ' A' ' 222' ' ' VAL . 2.8 mm -74.96 -45.75 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -59.28 -40.46 86.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 203' ' ' GLN . . . . . 0.408 ' OE1' ' HB2' ' A' ' 207' ' ' ALA . 2.8 tp-100 -64.67 -33.48 76.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 204' ' ' LEU . . . . . 0.904 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.5 OUTLIER -70.33 -48.88 54.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.655 HG21 ' HB3' ' A' ' 194' ' ' ARG . 0.2 OUTLIER -63.28 -39.1 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -64.44 -42.78 95.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 207' ' ' ALA . . . . . 0.408 ' HB2' ' OE1' ' A' ' 203' ' ' GLN . . . -78.17 -0.26 27.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 208' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -59.92 151.11 66.16 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 209' ' ' PRO . . . . . 0.528 ' HD2' HD12 ' A' ' 212' ' ' LEU . 18.2 Cg_endo -74.96 146.83 33.32 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 110.984 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 12.9 m -69.33 61.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 13.5 m -156.74 -38.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.433 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 212' ' ' LEU . . . . . 0.746 ' O ' HG23 ' A' ' 213' ' ' THR . 1.6 mt -74.03 124.01 25.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 213' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.4 p -161.3 32.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.428 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 214' ' ' THR . . . . . 0.668 ' C ' HD11 ' A' ' 190' ' ' ILE . 7.0 p -127.61 153.21 77.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.431 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.21 3.89 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -164.78 -51.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -71.5 -32.71 68.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 218' ' ' ILE . . . . . 0.567 HG21 HG23 ' A' ' 190' ' ' ILE . 50.8 mm -68.64 -51.7 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 219' ' ' ILE . . . . . 0.85 ' CG2' HG23 ' A' ' 165' ' ' VAL . 3.9 mt -63.85 -43.35 97.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -62.43 -44.48 96.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.458 ' CZ ' HD23 ' A' ' 204' ' ' LEU . 5.9 t80 -64.37 -50.47 67.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.514 HG11 ' CD1' ' A' ' 201' ' ' ILE . 2.7 t -60.29 -44.9 96.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.533 HD11 ' CG2' ' A' ' 165' ' ' VAL . 13.2 mt -61.49 -40.62 95.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -62.98 -51.25 67.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 225' ' ' ARG . . . . . 0.904 ' HB3' HD11 ' A' ' 204' ' ' LEU . 5.7 tpt180 -62.63 -35.16 78.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.553 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 15' ' ' GLU . 18.2 Cg_endo -75.02 -34.67 3.63 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.545 ' HG3' HD23 ' A' ' 18' ' ' LEU . 1.7 pttm -71.11 -47.79 56.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.545 HD23 ' HG3' ' A' ' 17' ' ' LYS . 12.1 mt -65.93 -43.31 88.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.832 HG21 HD12 ' A' ' 56' ' ' LEU . 35.9 mt -58.68 -37.12 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.363 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.0 m -61.77 -39.67 92.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -48.8 73.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.638 HD21 ' HG3' ' A' ' 39' ' ' GLU . 1.5 tt -65.13 -37.93 89.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.615 ' HB2' HG12 ' A' ' 60' ' ' ILE . . . -66.69 -34.51 78.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.491 ' O ' ' CG ' ' A' ' 27' ' ' ARG . 2.7 m-20 -62.21 -33.09 73.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.512 HG23 ' HG3' ' A' ' 29' ' ' LYS . 1.1 m -71.31 -36.22 71.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.415 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.799 ' CG1' HG23 ' A' ' 36' ' ' THR . 68.8 t -65.03 -51.47 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.648 ' HG3' HG23 ' A' ' 28' ' ' THR . 0.7 OUTLIER -56.74 -34.21 67.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.648 HG23 ' HG3' ' A' ' 27' ' ' ARG . 28.1 p -87.21 -22.76 25.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.428 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.564 ' HB3' HG21 ' A' ' 35' ' ' ILE . 5.3 mmtm -95.68 9.64 39.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.64 126.01 0.02 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.491 HD23 ' CE1' ' A' ' 140' ' ' PHE . 3.9 mp -67.58 -34.88 77.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.63 2.28 56.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.285 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -92.36 161.54 32.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.507 ' O ' ' CG1' ' A' ' 35' ' ' ILE . 18.4 Cg_endo -75.0 98.41 1.16 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.491 1.785 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.564 HG21 ' HB3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER 163.64 -31.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.799 HG23 ' CG1' ' A' ' 26' ' ' VAL . 66.7 m -59.24 -47.81 83.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.385 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.501 ' SD ' HD23 ' A' ' 137' ' ' LEU . 16.8 mmt -64.58 -38.07 89.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.64 -52.62 43.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.638 ' HG3' HD21 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -61.25 -47.48 85.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 36' ' ' THR . 59.9 t -59.97 -45.76 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 45' ' ' SER . 18.6 mt-10 -67.5 -23.79 65.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.258 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -60.58 -55.39 33.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.833 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -72.51 -49.68 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.505 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 24.4 mtt -65.85 -10.69 40.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 111.029 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 41' ' ' GLU . 11.0 t -36.8 -33.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -107.34 162.67 18.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.011 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 149.68 37.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.749 HD13 HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -150.35 173.01 14.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.645 HD23 ' N ' ' A' ' 49' ' ' LEU . 1.7 mt -74.55 161.58 77.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HB3' HG21 ' A' ' 132' ' ' ILE . 18.2 Cg_endo -74.97 -26.6 10.81 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.502 1.791 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.465 ' O ' ' OG1' ' A' ' 54' ' ' THR . 0.5 OUTLIER -67.95 -48.01 67.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.597 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.68 -31.09 72.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.749 HG23 HD13 ' A' ' 48' ' ' LEU . 2.0 t -54.27 -47.72 68.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 51' ' ' HIS . 76.7 p -67.0 -40.14 87.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -62.57 -42.9 99.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.833 HD21 ' CD1' ' A' ' 43' ' ' LEU . 3.9 tp -70.99 -44.47 65.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.562 ' HG2' ' CZ2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -63.77 -28.59 69.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 61' ' ' LEU . 2.7 tmt_? -71.3 -36.3 71.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.2 t -75.5 -48.1 31.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.615 HG12 ' HB2' ' A' ' 23' ' ' ALA . 8.5 mt -73.5 -44.41 53.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 57' ' ' MET . 0.1 OUTLIER -99.92 132.92 44.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.462 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -59.5 172.56 4.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.452 ' O ' ' CB ' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.04 -42.91 0.43 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.492 1.785 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.845 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -61.3 -54.52 52.32 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.845 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.0 6.73 3.22 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.509 1.794 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.452 ' CB ' ' O ' ' A' ' 63' ' ' PRO . 5.2 t80 -75.05 -45.67 40.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.5 -29.69 68.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.791 ' HB3' HG22 ' A' ' 143' ' ' VAL . 7.0 mp -67.09 -47.12 72.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.581 ' HZ3' ' HE2' ' A' ' 70' ' ' MET . 25.1 t90 -70.6 -43.46 69.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 108.023 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.581 ' HE2' ' HZ3' ' A' ' 69' ' ' TRP . 0.4 OUTLIER -59.27 -37.02 76.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -70.89 -46.22 62.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.93 -28.8 66.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.532 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 15.0 t90 -66.85 -44.59 80.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 108.006 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.61 -41.16 93.48 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.18 -47.07 79.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.414 ' O ' ' HB ' ' A' ' 79' ' ' THR . 1.5 mp0 -58.6 -45.89 88.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.757 ' CD2' HD13 ' A' ' 106' ' ' LEU . 2.4 mt -60.7 -46.57 89.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -58.85 -36.69 74.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 76' ' ' GLN . 1.0 OUTLIER -59.46 -36.11 75.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.395 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.56 HG11 HD11 ' A' ' 106' ' ' LEU . 2.2 t -71.01 -34.72 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.468 HG13 ' CD1' ' A' ' 103' ' ' LEU . 29.4 mm -71.6 -45.6 66.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.65 -44.0 83.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.44 -45.64 80.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.476 ' HA ' ' CD2' ' A' ' 90' ' ' HIS . . . -68.09 -40.43 82.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.2 m -60.27 -38.39 83.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.413 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -75.07 -43.02 55.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.52 107.48 60.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.444 ' O ' ' CG ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.95 53.98 3.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 88' ' ' PRO . 34.6 mtp180 -160.78 26.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.476 ' CD2' ' HA ' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -78.28 145.15 67.97 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.621 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.405 ' HD2' ' ND1' ' A' ' 90' ' ' HIS . 18.5 Cg_endo -74.94 -21.95 15.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.489 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -73.95 -7.13 51.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.936 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.427 ' CG2' ' HB3' ' A' ' 84' ' ' ALA . 13.0 t -72.72 140.89 48.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -127.3 155.19 43.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.468 ' CD1' HG13 ' A' ' 81' ' ' ILE . 5.2 tp -63.36 -37.83 88.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.65 -42.59 99.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -46.43 89.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.757 HD13 ' CD2' ' A' ' 77' ' ' LEU . 6.0 mt -70.85 -21.58 62.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -61.04 -51.51 68.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.361 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.44 ' HA2' ' CE ' ' A' ' 113' ' ' MET . . . 108.51 18.37 9.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.771 ' HA ' HG22 ' A' ' 114' ' ' VAL . 3.8 tp -105.21 5.97 32.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.817 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.87 129.2 41.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -46.26 134.51 8.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.29 -18.59 57.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.817 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 36.2 mtp -101.18 -33.32 10.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.771 HG22 ' HA ' ' A' ' 109' ' ' LEU . 2.4 t -70.62 124.61 27.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.24 3.08 65.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -146.6 101.4 4.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.412 ' O ' HD11 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.98 -44.92 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -76.49 -26.76 55.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -75.92 -42.5 25.02 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.459 ' CD ' HD13 ' A' ' 49' ' ' LEU . 14.4 pt20 -66.29 -38.64 88.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.742 . . . . 0.0 110.338 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 120' ' ' GLN . . . -63.41 -39.51 94.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.21 -22.05 52.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.462 ' CD2' ' O ' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -79.04 -42.21 27.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.517 HD21 ' CE ' ' A' ' 113' ' ' MET . 1.4 mt -73.39 -169.87 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -118.22 157.31 49.32 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 108.24 2.67 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.26 -45.1 0.81 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.489 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 8.3 mt-10 -56.93 -37.89 72.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.829 ' HA ' HD12 ' A' ' 132' ' ' ILE . 1.4 mt -60.52 -45.91 92.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.2 t -59.23 -39.8 79.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.71 86.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.829 HD12 ' HA ' ' A' ' 129' ' ' LEU . 6.4 mt -69.22 -38.92 78.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.42 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 5.9 m -64.59 -48.91 73.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.432 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.37 -48.14 76.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.2 m -60.36 -34.71 74.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.81 -43.12 76.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.505 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -65.7 -40.34 92.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -62.6 -36.88 84.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.42 -27.96 66.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.517 ' CE2' HD23 ' A' ' 61' ' ' LEU . 1.6 t80 -68.37 -50.26 54.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.132 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.426 ' HG3' ' HE3' ' A' ' 37' ' ' MET . 5.4 mtp180 -61.86 -25.07 67.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -72.51 -35.44 68.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.269 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.791 HG22 ' HB3' ' A' ' 68' ' ' LEU . 30.2 t -81.25 -43.52 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.35 -50.04 75.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 152' ' ' PRO . . . . . 0.44 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' TRP . . . . . 0.813 ' HA ' HD12 ' A' ' 156' ' ' ILE . 27.2 p90 -51.9 -27.39 12.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 108.008 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.91 -32.66 73.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.4 -22.03 41.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.813 HD12 ' HA ' ' A' ' 153' ' ' TRP . 12.8 mt -82.99 120.71 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.616 ' C ' ' CE2' ' A' ' 167' ' ' PHE . 1.5 m -130.49 132.14 45.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.401 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 158' ' ' GLN . . . . . 0.644 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 1.4 tm0? -62.0 121.89 14.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -122.72 156.47 17.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.15 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.78 18.36 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.482 1.78 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 59.6 p -78.98 -23.39 44.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 0.0 110.04 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -113.93 135.64 53.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.39 133.44 55.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.596 ' O ' ' HB2' ' A' ' 168' ' ' ALA . 1.9 t80 -55.85 -39.71 71.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 111.043 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.983 ' CG2' HD11 ' A' ' 223' ' ' LEU . 0.9 OUTLIER -70.99 -52.11 30.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.15 -49.0 75.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.664 ' CE2' HG22 ' A' ' 156' ' ' ILE . 5.2 t80 -68.29 -33.59 74.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 164' ' ' PHE . . . -61.95 -51.02 69.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 169' ' ' ASN . . . . . 0.522 ' HA ' HG12 ' A' ' 172' ' ' ILE . 75.3 m-20 -52.61 -42.6 64.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.243 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -56.82 -36.54 70.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.591 HD21 ' HB2' ' A' ' 153' ' ' TRP . 0.2 OUTLIER -69.06 -32.25 71.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.838 ' CD1' HG21 ' A' ' 189' ' ' ILE . 2.1 mm -68.42 -43.67 83.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 173' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 176' ' ' GLU . 0.0 OUTLIER -67.27 -33.87 76.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.22 -52.87 16.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 0.918 HG12 ' HG3' ' A' ' 185' ' ' ARG . 70.1 t -60.42 -49.17 85.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 173' ' ' LYS . 0.3 OUTLIER -64.98 -31.85 73.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -97.1 23.85 33.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 80.3 p -122.37 166.3 14.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.983 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -80.34 65.32 5.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.673 HD11 ' CZ3' ' A' ' 153' ' ' TRP . 15.2 mt -111.54 155.21 43.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.4 Cg_endo -75.0 159.71 41.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.781 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 57.47 4.57 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 20.7 t -167.79 -41.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.038 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.644 ' HB1' HG21 ' A' ' 188' ' ' VAL . . . -71.13 -11.35 60.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 185' ' ' ARG . . . . . 0.918 ' HG3' HG12 ' A' ' 175' ' ' VAL . 0.6 OUTLIER -80.88 65.19 5.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 110.346 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.953 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 179.09 -59.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 187' ' ' PRO . . . . . 0.953 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.1 Cg_endo -75.04 -28.53 9.02 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.644 HG21 ' HB1' ' A' ' 184' ' ' ALA . 66.5 t -67.44 -38.9 81.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 189' ' ' ILE . . . . . 0.838 HG21 ' CD1' ' A' ' 172' ' ' ILE . 7.7 mt -67.5 -48.61 76.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 190' ' ' ILE . . . . . 0.735 HD11 ' C ' ' A' ' 214' ' ' THR . 63.8 mt -66.02 -35.88 76.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.175 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -40.15 89.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 24.0 m -54.24 -43.65 71.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.316 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 193' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -59.4 -50.35 74.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 194' ' ' ARG . . . . . 0.62 ' HB3' HG21 ' A' ' 205' ' ' ILE . 0.0 OUTLIER -87.18 19.71 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -106.39 -32.31 8.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.253 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.57 73.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 197' ' ' SER . . . . . . . . . . . . . 38.3 p -142.8 163.1 33.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 198' ' ' GLN . . . . . 0.41 ' O ' ' CB ' ' A' ' 202' ' ' GLN . 2.4 mp0 -43.79 167.07 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -37.35 2.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -49.14 70.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 8.4 mm -68.99 -35.99 71.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 202' ' ' GLN . . . . . 0.42 ' NE2' ' HB2' ' A' ' 194' ' ' ARG . 9.7 tp60 -70.43 -48.53 55.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -61.41 -27.86 68.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 204' ' ' LEU . . . . . 0.67 HD23 ' CE2' ' A' ' 221' ' ' TYR . 0.2 OUTLIER -67.28 -51.09 57.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.62 HG21 ' HB3' ' A' ' 194' ' ' ARG . 0.5 OUTLIER -65.54 -44.09 94.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -62.86 -33.26 74.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -91.59 -5.57 53.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 208' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -64.41 155.65 79.67 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 209' ' ' PRO . . . . . 0.709 ' HB2' HG22 ' A' ' 211' ' ' THR . 18.3 Cg_endo -74.99 146.91 33.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 1.5 p -66.12 -9.73 34.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 211' ' ' THR . . . . . 0.858 HG23 ' CD2' ' A' ' 212' ' ' LEU . 14.9 t -72.74 -12.28 60.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.432 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 212' ' ' LEU . . . . . 0.884 ' O ' HG23 ' A' ' 213' ' ' THR . 1.0 OUTLIER -111.36 135.27 52.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 213' ' ' THR . . . . . 0.884 HG23 ' O ' ' A' ' 212' ' ' LEU . 0.7 OUTLIER -167.13 30.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.38 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 214' ' ' THR . . . . . 0.735 ' C ' HD11 ' A' ' 190' ' ' ILE . 14.6 p -129.19 154.58 80.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 55.02 3.82 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.46 1.768 . . . . 0.0 111.041 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -161.3 -51.23 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 217' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' A' ' 217' ' ' GLU . 0.8 OUTLIER -73.67 -34.27 64.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 110.323 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 218' ' ' ILE . . . . . 0.476 HG12 HD13 ' A' ' 190' ' ' ILE . 1.1 mp -63.09 -44.83 99.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 219' ' ' ILE . . . . . 0.589 HG23 ' CE2' ' A' ' 164' ' ' PHE . 4.4 mt -73.75 -45.27 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.36 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -56.7 -38.04 71.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.67 ' CE2' HD23 ' A' ' 204' ' ' LEU . 7.1 t80 -74.23 -45.46 47.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.501 ' HA ' HD22 ' A' ' 204' ' ' LEU . 2.6 t -59.75 -49.47 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.983 HD11 ' CG2' ' A' ' 165' ' ' VAL . 78.4 mt -61.53 -42.53 98.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.58 -31.02 71.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 225' ' ' ARG . . . . . 0.549 ' CB ' HD21 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -79.68 -37.65 35.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.539 ' OE2' ' CD1' ' A' ' 18' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.78 2.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -58.61 -46.47 86.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.539 ' CD1' ' OE2' ' A' ' 15' ' ' GLU . 56.1 mt -70.31 -48.28 57.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.624 HG23 ' CD1' ' A' ' 56' ' ' LEU . 46.1 mt -57.62 -41.01 78.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -69.38 -38.08 77.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.397 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -64.69 -49.43 70.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.352 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.465 HD13 ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -67.57 -42.71 82.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.424 ' CB ' HG12 ' A' ' 59' ' ' VAL . . . -59.87 -34.62 73.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -62.78 -44.71 95.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.492 HG22 ' CD ' ' A' ' 39' ' ' GLU . 1.3 m -62.44 -37.42 85.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.454 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.865 HG13 ' OG1' ' A' ' 36' ' ' THR . 55.9 t -58.29 -41.64 81.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.1 ttm-85 -67.03 -48.8 67.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.5 p -69.65 -21.28 63.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HB3' ' CG2' ' A' ' 35' ' ' ILE . 17.8 mmtt -94.76 -13.95 25.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.87 122.16 3.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.512 HD21 ' CE1' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -66.72 -23.9 66.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.771 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.39 2.35 56.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.78 165.47 22.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.968 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -40.04 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.502 1.79 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -47.38 -31.6 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.865 ' OG1' HG13 ' A' ' 26' ' ' VAL . 1.2 m -62.57 -49.09 76.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.389 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -40.11 95.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.05 -45.44 73.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.56 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 11.0 mt-10 -61.68 -47.86 83.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.663 HG22 HD13 ' A' ' 60' ' ' ILE . 35.4 t -59.95 -44.98 95.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.5 mt-10 -66.97 -23.67 65.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -62.55 -55.49 26.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.728 HD11 HD21 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -72.87 -42.58 63.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.513 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 29.6 mtt -71.89 -10.29 59.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 41' ' ' GLU . 94.3 p -37.42 -31.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -108.1 165.95 11.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 149.43 36.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.798 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.538 HD13 ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -150.33 165.61 32.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.812 ' O ' HG23 ' A' ' 53' ' ' VAL . 10.5 mt -67.67 163.33 49.59 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.02 -31.19 6.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.79 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.443 ' O ' ' OG1' ' A' ' 54' ' ' THR . 2.5 t60 -67.87 -42.37 81.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.608 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.52 -31.15 72.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 49' ' ' LEU . 55.3 t -59.36 -47.61 89.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.532 ' CG2' ' HE1' ' A' ' 70' ' ' MET . 16.1 p -66.51 -38.81 88.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -43.62 90.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.728 HD21 HD11 ' A' ' 43' ' ' LEU . 6.6 tp -66.32 -50.66 62.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.583 ' SD ' HD21 ' A' ' 61' ' ' LEU . 11.6 mmt -57.09 -42.33 80.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 111.045 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 61' ' ' LEU . 3.5 ttt180 -56.3 -36.2 68.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.469 HG11 HG22 ' A' ' 19' ' ' ILE . 53.5 t -75.15 -46.32 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.663 HD13 HG22 ' A' ' 40' ' ' VAL . 35.6 mt -63.71 -44.43 98.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.749 HD22 ' CE1' ' A' ' 140' ' ' PHE . 0.5 OUTLIER -122.12 131.74 54.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.586 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -50.14 -176.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.451 1.095 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.455 ' HA ' ' HB3' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.97 -24.82 12.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.539 1.81 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.899 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -64.64 -56.39 22.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.899 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.97 -22.18 15.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.548 ' CZ ' ' SD ' ' A' ' 70' ' ' MET . 3.4 t80 -54.75 -45.06 74.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.66 -30.14 71.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.845 ' HB3' HG22 ' A' ' 143' ' ' VAL . 8.8 mp -70.94 -37.48 72.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.721 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 7.8 t90 -71.27 -34.44 70.69 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.548 ' SD ' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -65.86 -37.45 86.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -67.15 -47.35 71.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.17 -43.44 82.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.721 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 12.8 t90 -54.52 -38.61 66.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 108.003 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.67 -44.63 97.65 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.537 1.148 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.6 t -68.58 -46.99 79.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.417 ' O ' ' HB ' ' A' ' 79' ' ' THR . 2.2 mp0 -57.53 -46.26 84.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.767 ' CD2' HD13 ' A' ' 106' ' ' LEU . 4.4 mt -60.53 -45.81 92.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.521 ' HA ' HD13 ' A' ' 103' ' ' LEU . 58.1 mt-30 -62.61 -29.23 70.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.509 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 0.8 OUTLIER -64.99 -34.83 79.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.381 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 37.6 t -68.11 -50.71 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.971 HG13 HG23 ' A' ' 101' ' ' THR . 1.6 mp -63.17 -49.95 81.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.55 -39.51 84.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 79' ' ' THR . . . -58.7 -48.18 81.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.64 ' HB2' ' CB ' ' A' ' 90' ' ' HIS . . . -65.74 -40.29 91.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.5 m -61.12 -39.82 91.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -74.97 -43.35 54.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -132.9 120.82 16.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.89 3.77 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 111.017 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.03 6.36 6.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.64 ' CB ' ' HB2' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -85.26 134.11 41.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.613 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.462 ' O ' ' NH2' ' A' ' 125' ' ' ARG . 18.1 Cg_endo -75.0 -21.09 16.21 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.9 -16.1 26.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.45 ' O ' ' OD1' ' A' ' 93' ' ' ASN . 46.3 p-10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.971 HG23 HG13 ' A' ' 81' ' ' ILE . 14.4 t -71.26 164.45 25.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.361 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -144.35 151.05 38.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.676 HD11 ' HB3' ' A' ' 77' ' ' LEU . 6.1 tp -63.88 -45.93 87.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.496 ' HA ' ' CG ' ' A' ' 107' ' ' LYS . 0.2 OUTLIER -55.26 -37.63 67.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -36.34 61.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.767 HD13 ' CD2' ' A' ' 77' ' ' LEU . 69.8 mt -87.65 -26.17 23.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.496 ' CG ' ' HA ' ' A' ' 104' ' ' ASP . 9.0 mmtt -50.05 -43.81 51.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 101.78 -1.91 52.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.438 1.087 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.618 ' HA ' HG22 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -81.71 3.96 23.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 0.796 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.788 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.13 132.98 55.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.38 123.77 9.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.088 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.08 -17.8 58.62 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.54 1.15 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.788 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 26.0 mtp -101.67 -5.15 25.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 0.742 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.618 HG22 ' HA ' ' A' ' 109' ' ' LEU . 2.1 t -96.18 128.95 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 76.93 3.16 80.06 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.472 1.108 . . . . 0.0 111.03 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -129.3 110.98 18.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -80.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -54.98 -33.45 62.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.92 -42.09 95.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.486 ' HG3' HD21 ' A' ' 124' ' ' LEU . 25.3 tt0 -62.53 -44.91 95.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.59 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -65.62 -28.96 69.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.94 -14.34 59.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.742 HD13 ' HG3' ' A' ' 113' ' ' MET . 0.8 OUTLIER -89.04 -20.79 23.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.486 HD21 ' HG3' ' A' ' 120' ' ' GLN . 0.2 OUTLIER -124.82 127.42 47.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.462 ' NH2' ' O ' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -55.73 159.74 4.86 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.243 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 125' ' ' ARG . 18.4 Cg_endo -74.99 107.85 2.58 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.488 1.783 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 171.42 -45.03 0.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.684 ' HG2' HD21 ' A' ' 106' ' ' LEU . 1.6 mt-10 -62.22 -31.8 72.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.288 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.595 ' CD2' HD23 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -60.71 -43.5 97.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.43 -39.8 80.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.36 96.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.59 HD12 ' HA ' ' A' ' 129' ' ' LEU . 13.5 mt -69.41 -38.67 77.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.469 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 32.0 m -67.89 -39.7 83.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.417 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.6 -46.1 70.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.1 m -66.91 -33.73 76.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.71 -42.62 97.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.513 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -69.49 -34.02 73.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -69.66 -41.3 75.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.9 -33.54 74.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.749 ' CE1' HD22 ' A' ' 61' ' ' LEU . 8.0 t80 -64.52 -60.57 2.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -52.84 -24.9 9.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -69.91 -40.21 75.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.845 HG22 ' HB3' ' A' ' 68' ' ' LEU . 4.9 t -72.35 -35.89 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -70.12 -49.92 45.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.351 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 155' ' ' ASP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' TRP . . . . . 0.836 ' HA ' HD12 ' A' ' 156' ' ' ILE . 5.6 p90 -51.6 -31.92 26.81 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.66 -32.77 73.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 152' ' ' PRO . 0.5 OUTLIER -79.72 -21.79 44.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.88 HG22 ' CE1' ' A' ' 167' ' ' PHE . 17.2 mt -82.1 120.85 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.601 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 21.8 p -125.22 145.01 50.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 158' ' ' GLN . . . . . 0.582 ' CG ' ' CD2' ' A' ' 167' ' ' PHE . 0.1 OUTLIER -85.96 129.44 34.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -126.1 166.25 18.95 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -27.51 9.9 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.447 1.762 . . . . 0.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.35 -23.11 60.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.586 1.179 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -108.52 135.12 50.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.94 135.08 56.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.62 ' CE2' HG23 ' A' ' 219' ' ' ILE . 1.7 t80 -56.52 -49.22 75.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.972 HG23 HG21 ' A' ' 219' ' ' ILE . 0.5 OUTLIER -66.92 -42.43 88.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -58.14 -47.9 81.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.896 ' CZ ' HD12 ' A' ' 171' ' ' LEU . 12.9 t80 -67.34 -42.74 83.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.47 -34.12 64.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -67.28 -51.44 52.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -37.39 77.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.896 HD12 ' CZ ' ' A' ' 167' ' ' PHE . 3.8 tt -70.28 -45.62 65.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.625 HG12 HD13 ' A' ' 189' ' ' ILE . 37.4 mt -59.41 -49.25 84.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -37.72 77.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.514 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -65.59 -51.78 57.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 0.552 HG13 HD12 ' A' ' 180' ' ' LEU . 48.5 t -57.27 -47.91 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.447 ' OE1' HG22 ' A' ' 172' ' ' ILE . 28.6 mt-10 -54.32 -36.45 63.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.244 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -99.94 32.62 7.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 60.0 p -124.67 165.86 17.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.767 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 36.0 p-10 -84.58 85.66 7.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.631 HD11 ' CH2' ' A' ' 153' ' ' TRP . 13.0 mt -130.75 152.4 80.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.599 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.3 Cg_endo -74.97 162.18 37.61 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 72.7 4.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.29 -33.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.599 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -80.65 -11.71 59.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 185' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 45.8 mtp180 -84.21 70.05 10.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.896 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 175.46 -57.39 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 187' ' ' PRO . . . . . 0.896 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.4 Cg_endo -74.98 -26.91 10.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.455 1.766 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 184' ' ' ALA . 72.9 t -67.94 -40.29 83.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 189' ' ' ILE . . . . . 0.625 HD13 HG12 ' A' ' 172' ' ' ILE . 23.7 mt -66.96 -48.23 80.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 190' ' ' ILE . . . . . 0.736 HD11 ' C ' ' A' ' 214' ' ' THR . 68.6 mt -65.65 -43.01 93.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 191' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 195' ' ' GLN . 50.6 t0 -63.27 -38.1 89.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 192' ' ' CYS . . . . . 0.415 ' HA ' ' HB2' ' A' ' 195' ' ' GLN . 12.4 m -53.32 -46.21 69.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 108.33 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 193' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -57.74 -48.92 78.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.91 16.73 4.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 195' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 191' ' ' ASP . 0.0 OUTLIER -96.82 -48.21 5.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 110.334 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm -156.01 67.56 0.61 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 197' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 198' ' ' GLN . 2.3 m -141.95 165.31 27.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 198' ' ' GLN . . . . . 0.431 ' HG2' ' HB ' ' A' ' 201' ' ' ILE . 0.0 OUTLIER -36.66 154.2 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -34.2 4.04 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.519 1.8 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.99 -50.73 72.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.699 HD12 HG11 ' A' ' 222' ' ' VAL . 3.9 mm -69.33 -45.57 78.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -58.94 -40.98 86.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 203' ' ' GLN . . . . . 0.439 ' OE1' ' HB2' ' A' ' 207' ' ' ALA . 2.6 tp-100 -65.27 -38.85 91.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 204' ' ' LEU . . . . . 0.829 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.5 OUTLIER -63.78 -49.07 74.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.451 ' O ' ' HB3' ' A' ' 208' ' ' ALA . 0.5 OUTLIER -63.92 -39.68 86.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -63.83 -33.85 76.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 207' ' ' ALA . . . . . 0.439 ' HB2' ' OE1' ' A' ' 203' ' ' GLN . . . -89.96 4.91 48.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 208' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -62.39 155.53 66.58 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 209' ' ' PRO . . . . . 0.685 ' HG2' HD11 ' A' ' 212' ' ' LEU . 18.3 Cg_endo -75.04 155.48 42.75 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.435 1.755 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.18 23.93 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.966 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 2.5 m -111.6 -3.15 15.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 212' ' ' LEU . . . . . 0.694 ' O ' HG23 ' A' ' 213' ' ' THR . 0.4 OUTLIER -148.2 140.33 24.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 213' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 212' ' ' LEU . 2.3 p -160.09 45.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.43 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 214' ' ' THR . . . . . 0.736 ' C ' HD11 ' A' ' 190' ' ' ILE . 82.6 p -119.44 157.49 51.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 55.12 3.83 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.502 1.79 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -158.01 -57.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -73.96 -33.17 63.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 218' ' ' ILE . . . . . 0.59 HG12 HD13 ' A' ' 190' ' ' ILE . 1.3 mp -64.95 -38.6 83.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 219' ' ' ILE . . . . . 0.972 HG21 HG23 ' A' ' 165' ' ' VAL . 6.4 mt -75.56 -50.35 24.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.43 -37.19 69.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.576 ' CZ ' ' CD2' ' A' ' 204' ' ' LEU . 0.4 OUTLIER -65.86 -50.07 65.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 111.0 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.699 HG11 HD12 ' A' ' 201' ' ' ILE . 12.2 t -62.21 -42.81 96.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.22 -35.89 82.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -71.6 -34.32 69.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.352 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 225' ' ' ARG . . . . . 0.829 ' HB3' HD11 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -74.03 -40.64 62.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.238 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.301 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -43.38 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.46 1.768 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.504 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -58.27 -35.94 72.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.504 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 62.8 mt -73.4 -47.87 38.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.527 HG22 HG11 ' A' ' 59' ' ' VAL . 23.6 mt -59.92 -36.0 64.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 m -65.57 -43.1 90.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.42 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -67.18 -48.9 66.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.628 HD22 HD23 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -63.08 -46.83 85.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.425 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -60.28 -31.97 70.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -61.64 -38.26 87.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.438 HG21 ' OE2' ' A' ' 39' ' ' GLU . 1.1 m -66.47 -37.51 85.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.586 HG22 HG23 ' A' ' 36' ' ' THR . 7.0 t -56.74 -45.41 82.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -48.49 81.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.7 p -67.96 -32.02 72.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 33' ' ' SER . 22.9 mmtm -82.62 -14.12 55.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 81.72 127.18 0.91 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.681 HD21 HD22 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -66.9 -24.94 66.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.05 -5.2 58.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -102.44 169.41 7.59 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.025 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.451 ' C ' ' H ' ' A' ' 36' ' ' THR . 18.5 Cg_endo -75.0 -169.99 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.49 1.784 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.45 ' HB ' ' O ' ' A' ' 34' ' ' PRO . 0.2 OUTLIER 77.68 -41.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.655 ' O ' HG23 ' A' ' 40' ' ' VAL . 28.0 m -56.71 -42.64 79.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.425 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -43.6 98.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.42 -41.11 73.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.484 ' HG2' HD21 ' A' ' 22' ' ' LEU . 3.2 mt-10 -59.91 -44.95 93.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 36' ' ' THR . 96.3 t -66.88 -49.02 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.12 -23.17 61.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -70.45 -55.91 7.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.726 ' CD1' HD21 ' A' ' 56' ' ' LEU . 1.4 pp -68.21 -47.55 67.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.952 ' HG2' HG23 ' A' ' 133' ' ' THR . 0.0 OUTLIER -73.92 -9.76 58.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 44' ' ' MET . 8.8 t -35.68 -39.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 44' ' ' MET . 0.3 OUTLIER -98.5 164.01 17.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.975 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 150.16 37.56 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.523 HD13 HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -154.24 165.97 34.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.659 HD13 ' CD ' ' A' ' 120' ' ' GLN . 0.7 OUTLIER -67.84 165.11 34.31 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -29.68 8.04 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.437 1.756 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.424 ' O ' ' OG1' ' A' ' 54' ' ' THR . 12.2 t60 -67.89 -40.43 83.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.598 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.416 ' HA ' ' OD1' ' A' ' 55' ' ' ASN . 0.7 OUTLIER -65.09 -31.48 72.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.585 HG12 ' CH2' ' A' ' 69' ' ' TRP . 17.0 t -60.95 -46.98 95.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 51' ' ' HIS . 33.6 p -66.74 -41.5 87.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.375 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.432 ' C ' ' ND2' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -66.02 -41.93 90.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.726 HD21 ' CD1' ' A' ' 43' ' ' LEU . 4.3 tp -66.89 -50.98 60.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.524 ' HG3' ' CE2' ' A' ' 69' ' ' TRP . 12.8 mmt -57.32 -43.43 83.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.13 -36.66 65.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.527 HG11 HG22 ' A' ' 19' ' ' ILE . 25.5 t -68.54 -34.31 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.712 HG22 HD23 ' A' ' 61' ' ' LEU . 40.8 mt -78.86 -44.32 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.712 HD23 HG22 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -124.79 134.82 52.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.492 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -61.46 -162.5 0.19 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.439 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.4 Cg_endo -74.93 -21.38 16.09 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.926 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.5 -58.45 3.73 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.926 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.99 5.34 4.04 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.439 ' HB2' ' HA ' ' A' ' 63' ' ' PRO . 0.8 OUTLIER -77.6 -51.31 10.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.956 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.18 -31.39 68.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.923 ' HB3' HG22 ' A' ' 143' ' ' VAL . 7.5 mp -65.59 -47.98 73.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.746 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 49.6 t90 -71.0 -38.99 72.68 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -43.39 94.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -65.05 -45.17 86.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.546 ' O ' ' NE2' ' A' ' 76' ' ' GLN . . . -70.03 -28.96 65.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.746 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 12.9 t90 -71.2 -41.51 70.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 107.992 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.65 -42.91 99.47 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.5 t -68.26 -46.93 80.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.546 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 2.6 mp0 -58.52 -46.47 86.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.613 ' CD2' HD13 ' A' ' 106' ' ' LEU . 3.2 mt -63.09 -45.85 90.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -58.62 -30.23 67.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -67.72 -36.28 80.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.603 HG13 ' NE2' ' A' ' 90' ' ' HIS . 73.1 t -71.47 -39.26 70.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.499 ' HA ' ' CG2' ' A' ' 101' ' ' THR . 47.5 mm -64.39 -50.2 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.49 -34.31 76.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 79' ' ' THR . . . -65.66 -35.61 81.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.719 ' HB2' ' HD2' ' A' ' 90' ' ' HIS . . . -67.82 -46.16 72.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -35.58 81.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.403 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -76.06 -43.55 43.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -111.02 116.66 51.38 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -1.13 10.81 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.521 1.801 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -99.44 24.3 8.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.719 ' HD2' ' HB2' ' A' ' 84' ' ' ALA . 1.0 OUTLIER -92.83 128.3 44.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.602 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.45 14.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.429 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -62.18 -23.67 66.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.577 ' HB3' ' HB1' ' A' ' 84' ' ' ALA . 23.1 p30 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.527 HG22 ' HB3' ' A' ' 84' ' ' ALA . 5.5 t -70.9 170.11 13.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.8 137.69 29.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.465 ' CD1' HG13 ' A' ' 81' ' ' ILE . 7.0 tp -56.5 -35.84 68.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -65.79 -43.65 88.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? -59.99 -46.82 88.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.613 HD13 ' CD2' ' A' ' 77' ' ' LEU . 9.7 mt -71.22 -23.87 62.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -51.9 68.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.75 ' O ' HG13 ' A' ' 114' ' ' VAL . . . 114.08 16.77 7.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -100.45 4.83 44.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.64 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.38 147.61 30.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -59.24 122.66 14.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.262 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.71 -5.1 84.95 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.543 1.152 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.64 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 1.3 ttt -86.83 -31.81 20.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.76 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.75 HG13 ' O ' ' A' ' 108' ' ' GLY . 0.1 OUTLIER -98.22 136.18 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.69 3.38 64.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -153.67 106.97 2.53 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.465 0.744 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.465 ' HA ' ' CD1' ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.01 -49.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.449 1.762 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -77.83 -27.92 50.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.354 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -74.63 -43.19 30.22 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.473 1.108 . . . . 0.0 111.067 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.659 ' CD ' HD13 ' A' ' 49' ' ' LEU . 6.7 pt20 -66.48 -44.41 82.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 0.725 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' A' ' 120' ' ' GLN . . . -57.79 -36.02 71.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.42 -18.11 57.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.983 HD23 ' O ' ' A' ' 123' ' ' LEU . 6.9 tt -80.12 -16.1 55.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.482 HD22 ' HE3' ' A' ' 113' ' ' MET . 0.1 OUTLIER -127.88 127.1 42.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.67 157.16 1.99 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 108.68 2.77 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.552 1.817 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.25 -46.73 0.3 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.577 1.173 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.429 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 12.4 mt-10 -58.71 -32.58 69.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.81 ' HA ' HD12 ' A' ' 132' ' ' ILE . 0.6 OUTLIER -59.29 -47.04 86.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 64.0 t -58.81 -39.63 77.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.89 -41.3 97.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.81 HD12 ' HA ' ' A' ' 129' ' ' LEU . 5.3 mt -69.18 -38.53 78.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.952 HG23 ' HG2' ' A' ' 44' ' ' MET . 87.8 m -67.03 -41.85 85.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.38 -48.32 61.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.2 m -63.03 -34.05 76.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 110.042 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.78 -43.08 89.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -36.1 83.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.125 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -63.36 -37.36 86.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.439 ' HA ' ' HB1' ' A' ' 72' ' ' ALA . . . -67.61 -29.2 68.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.071 . . . . 0.0 109.355 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.529 ' CZ ' ' CG2' ' A' ' 36' ' ' THR . 2.2 t80 -66.28 -47.97 71.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -63.56 -25.45 68.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -71.48 -42.09 68.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.923 HG22 ' HB3' ' A' ' 68' ' ' LEU . 31.2 t -69.14 -43.43 81.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.06 -19.96 61.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 155' ' ' ASP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 110.96 -0.438 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' TRP . . . . . 0.702 ' CZ3' HD11 ' A' ' 180' ' ' LEU . 3.2 p90 -51.95 -28.97 18.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 108.022 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.23 -32.96 74.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 152' ' ' PRO . 1.3 p30 -82.47 -21.05 35.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.609 HD11 ' HB2' ' A' ' 174' ' ' ALA . 40.4 mt -76.37 120.8 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.607 HG23 ' HG2' ' A' ' 196' ' ' LYS . 3.2 m -120.62 130.43 54.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.442 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 158' ' ' GLN . . . . . 0.576 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 27.9 tp60 -70.39 130.3 41.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -122.7 154.05 16.97 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -17.75 19.25 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.8 -22.17 31.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.67 135.23 44.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.72 138.88 55.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 110.026 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.773 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.8 OUTLIER -59.74 -39.1 83.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.759 ' CG2' HD11 ' A' ' 223' ' ' LEU . 1.7 t -71.26 -48.5 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.33 -43.32 78.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.601 ' CE2' HD12 ' A' ' 171' ' ' LEU . 90.7 t80 -69.7 -34.98 74.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -61.63 -43.05 99.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -61.0 -46.53 90.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 61.6 mtt-85 -59.78 -37.34 78.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.601 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.4 OUTLIER -70.44 -47.21 61.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.515 ' CG1' HG21 ' A' ' 189' ' ' ILE . 45.1 mt -59.39 -41.5 84.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -64.31 -36.6 84.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.609 ' HB2' HD11 ' A' ' 156' ' ' ILE . . . -68.83 -52.98 24.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 0.528 HG13 HD12 ' A' ' 180' ' ' LEU . 56.0 t -57.15 -48.16 82.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -53.02 -34.93 58.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -107.45 34.55 5.6 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.477 1.11 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 52.9 p -123.8 166.18 16.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.776 . . . . 0.0 110.015 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.81 87.69 7.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.702 HD11 ' CZ3' ' A' ' 153' ' ' TRP . 18.1 mt -130.42 154.52 81.58 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.63 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.4 Cg_endo -75.03 164.78 32.63 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.789 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 182' ' ' PRO . . . . . 0.471 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.5 Cg_endo -74.97 79.0 2.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 0.0 111.048 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 183' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.6 OUTLIER 161.6 -27.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.63 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -80.61 -11.6 59.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 185' ' ' ARG . . . . . 0.544 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 22.6 mtm180 -85.41 70.17 10.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.889 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 173.28 -56.66 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 187' ' ' PRO . . . . . 0.889 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.1 Cg_endo -75.04 -32.03 5.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 30.6 t -65.03 -42.44 94.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 189' ' ' ILE . . . . . 0.739 HG22 ' CZ ' ' A' ' 193' ' ' PHE . 42.5 mt -68.15 -45.23 83.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 190' ' ' ILE . . . . . 0.76 HD11 ' C ' ' A' ' 214' ' ' THR . 71.2 mt -63.57 -45.21 98.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 191' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 195' ' ' GLN . 36.6 t70 -59.75 -37.41 78.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 192' ' ' CYS . . . . . 0.532 ' HB3' HD11 ' A' ' 171' ' ' LEU . 55.7 m -56.99 -40.97 77.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 108.312 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 193' ' ' PHE . . . . . 0.739 ' CZ ' HG22 ' A' ' 189' ' ' ILE . 9.1 m-30 -64.98 -27.14 68.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 194' ' ' ARG . . . . . 0.515 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 0.0 OUTLIER -117.79 27.7 8.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 195' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 191' ' ' ASP . 4.1 tm0? -119.59 -40.98 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 196' ' ' LYS . . . . . 0.607 ' HG2' HG23 ' A' ' 157' ' ' THR . 0.2 OUTLIER -115.23 -50.36 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 197' ' ' SER . . . . . 0.469 ' CB ' ' HG2' ' A' ' 158' ' ' GLN . 0.7 OUTLIER -37.39 155.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.449 1.093 . . . . 0.0 109.984 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 198' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 197' ' ' SER . 1.2 mp0 -45.19 170.45 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 199' ' ' PRO . . . . . 0.429 ' O ' ' HG3' ' A' ' 202' ' ' GLN . 18.3 Cg_endo -75.02 -32.47 5.33 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -41.37 95.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 7.2 mm -73.44 -46.08 50.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 202' ' ' GLN . . . . . 0.562 ' HG3' ' N ' ' A' ' 203' ' ' GLN . 0.0 OUTLIER -62.24 -36.15 81.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 203' ' ' GLN . . . . . 0.562 ' N ' ' HG3' ' A' ' 202' ' ' GLN . 3.7 mm100 -64.57 -34.59 78.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 204' ' ' LEU . . . . . 0.632 HD21 ' CB ' ' A' ' 225' ' ' ARG . 0.3 OUTLIER -64.93 -49.96 68.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.553 ' O ' ' HB3' ' A' ' 208' ' ' ALA . 0.3 OUTLIER -63.51 -46.36 95.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 206' ' ' ARG . . . . . 0.431 ' NH1' ' OE1' ' A' ' 203' ' ' GLN . 0.0 OUTLIER -61.6 -33.51 74.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -88.12 -6.17 58.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 208' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -61.78 159.74 32.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 209' ' ' PRO . . . . . 0.571 ' HB2' HG22 ' A' ' 211' ' ' THR . 18.2 Cg_endo -74.95 148.59 35.74 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -8.45 31.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.977 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 211' ' ' THR . . . . . 0.961 HG23 HD23 ' A' ' 212' ' ' LEU . 13.0 t -73.97 -13.23 60.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 212' ' ' LEU . . . . . 0.961 HD23 HG23 ' A' ' 211' ' ' THR . 0.6 OUTLIER -112.62 133.04 54.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 213' ' ' THR . . . . . 0.809 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.1 p -163.27 34.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.439 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 214' ' ' THR . . . . . 0.76 ' C ' HD11 ' A' ' 190' ' ' ILE . 1.8 p -129.89 155.4 80.59 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.42 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.09 3.85 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.475 1.776 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -162.72 -61.53 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.534 1.147 . . . . 0.0 111.018 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 217' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' A' ' 217' ' ' GLU . 2.7 mp0 -61.97 -33.24 73.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 218' ' ' ILE . . . . . 0.466 HG12 ' CG2' ' A' ' 190' ' ' ILE . 1.1 mp -62.15 -42.42 95.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 219' ' ' ILE . . . . . 0.773 HG23 ' CE2' ' A' ' 164' ' ' PHE . 3.9 mt -75.49 -48.74 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.27 -34.71 64.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.449 ' CE2' ' HB2' ' A' ' 208' ' ' ALA . 11.4 t80 -74.26 -46.07 43.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.432 HG22 ' HB3' ' A' ' 204' ' ' LEU . 4.0 t -60.61 -42.3 91.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.759 HD11 ' CG2' ' A' ' 165' ' ' VAL . 93.6 mt -67.12 -36.49 82.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.587 1.18 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.99 -38.16 85.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.36 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 225' ' ' ARG . . . . . 0.632 ' CB ' HD21 ' A' ' 204' ' ' LEU . 0.8 OUTLIER -75.83 -36.89 59.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 11.2 m-90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 12' ' ' THR . 13.9 t -113.71 105.98 54.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.444 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 125.37 9.29 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.794 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.004 HD21 HD12 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -84.63 154.17 22.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.752 ' CG ' HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -84.03 114.57 55.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 20' ' ' THR . 18.2 Cg_endo -74.99 -23.68 13.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.487 1.783 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 58.8 pttt -57.4 -44.89 84.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.752 HD12 ' CG ' ' A' ' 15' ' ' GLU . 34.2 mt -65.53 -47.79 74.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.004 HD12 HD21 ' A' ' 14' ' ' LEU . 14.1 mt -63.5 -35.68 73.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 16' ' ' PRO . 3.3 m -61.45 -42.96 99.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.431 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.489 ' CG ' ' N ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.59 -42.75 98.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.546 HD13 ' HB3' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -67.2 -45.5 76.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.417 ' HB2' HG12 ' A' ' 60' ' ' ILE . . . -63.92 -31.24 72.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.97 ' O ' HG23 ' A' ' 28' ' ' THR . 5.5 t70 -60.8 -42.36 97.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.506 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.9 m -65.59 -38.05 88.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.404 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.894 ' CG1' HG23 ' A' ' 36' ' ' THR . 52.5 t -60.53 -49.08 85.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -45.72 91.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.97 HG23 ' O ' ' A' ' 24' ' ' ASP . 70.4 p -63.99 -30.37 71.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.585 ' CB ' HG21 ' A' ' 35' ' ' ILE . 12.9 mmtt -88.52 -14.36 37.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 102.65 127.25 6.05 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.857 HD22 HG12 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -67.32 -30.12 69.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 109.306 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.493 ' CZ ' ' O ' ' A' ' 144' ' ' ALA . 3.8 mtt-85 -89.01 2.19 54.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.72 163.57 43.39 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.974 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.431 ' C ' ' N ' ' A' ' 36' ' ' THR . 18.4 Cg_endo -74.98 -38.23 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.807 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.585 HG21 ' CB ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -45.25 -26.18 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.894 HG23 ' CG1' ' A' ' 26' ' ' VAL . 87.6 m -58.31 -49.19 78.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.378 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.576 ' SD ' HD23 ' A' ' 137' ' ' LEU . 18.2 mmt -64.39 -32.55 74.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.06 -52.38 24.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.539 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -62.14 -47.47 84.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 36' ' ' THR . 56.3 t -60.38 -44.11 95.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 45' ' ' SER . 37.6 mt-10 -66.27 -24.4 66.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -63.31 -55.02 28.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.244 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.742 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -72.04 -48.93 40.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.518 ' HB3' HG22 ' A' ' 133' ' ' THR . 24.2 mtt -68.5 -10.59 56.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' GLU . 11.3 t -37.2 -32.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -106.97 164.82 14.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 149.18 36.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.856 HD13 HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -146.83 -173.29 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.627 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -90.7 163.29 30.82 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.593 ' O ' HG23 ' A' ' 54' ' ' THR . 18.3 Cg_endo -74.94 -32.44 5.48 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -67.29 -48.88 66.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -63.22 -32.66 74.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.856 HG23 HD13 ' A' ' 48' ' ' LEU . 2.4 t -55.02 -46.34 77.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 50' ' ' PRO . 30.6 p -66.59 -40.71 89.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -62.17 -40.78 97.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.742 HD21 ' CD1' ' A' ' 43' ' ' LEU . 7.0 tp -66.79 -53.59 31.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.551 ' O ' HD23 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -56.98 -40.15 76.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.968 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -57.53 -35.65 70.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.528 HG11 HG22 ' A' ' 19' ' ' ILE . 13.4 t -74.61 -40.14 47.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.417 HG12 ' HB2' ' A' ' 23' ' ' ALA . 2.4 mt -71.16 -44.62 73.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.583 HD22 ' CE2' ' A' ' 140' ' ' PHE . 0.4 OUTLIER -120.42 135.0 55.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.574 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -49.05 -179.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.579 1.174 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.439 ' HA ' ' HB3' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.99 -23.89 13.37 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.544 1.813 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.902 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -65.21 -56.4 20.2 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.902 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.05 -22.14 15.04 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.506 1.793 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.444 ' OH ' ' CE ' ' A' ' 70' ' ' MET . 33.5 t80 -54.51 -46.85 73.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.78 -37.66 87.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.518 ' HB3' HG22 ' A' ' 143' ' ' VAL . 6.8 mp -63.74 -31.26 72.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.689 ' CH2' ' CE3' ' A' ' 73' ' ' TRP . 38.4 t90 -70.33 -34.66 72.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 107.975 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.444 ' CE ' ' OH ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -62.63 -42.16 99.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -63.37 -46.95 84.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.13 71.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.689 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 11.5 t90 -66.06 -41.17 91.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 108.004 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.441 ' O ' ' NE2' ' A' ' 78' ' ' GLN . . . -58.96 -45.64 94.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.14 -47.53 78.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.464 ' O ' HG22 ' A' ' 79' ' ' THR . 89.6 mm-40 -56.21 -42.73 77.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.639 ' CD2' HD13 ' A' ' 106' ' ' LEU . 2.1 mt -64.88 -46.24 82.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 74' ' ' GLY . 25.3 mt-30 -59.84 -37.59 79.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 76' ' ' GLN . 0.5 OUTLIER -62.1 -35.62 79.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.396 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.66 -38.5 73.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.488 HD11 HD12 ' A' ' 106' ' ' LEU . 29.5 mm -64.75 -48.98 82.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.25 -39.72 89.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.05 79.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.4 ' HB1' ' OD1' ' A' ' 93' ' ' ASN . . . -61.52 -37.09 82.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.8 m -67.41 -37.9 83.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.414 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -74.99 -39.07 61.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.17 105.94 48.08 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.15 3.56 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -153.48 22.49 0.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.73 142.22 65.45 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.602 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -22.04 15.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.802 . . . . 0.0 111.045 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.61 -9.28 58.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.4 ' OD1' ' HB1' ' A' ' 84' ' ' ALA . 97.5 m-20 -80.4 149.83 30.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -43.63 -54.85 5.59 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -165.03 -43.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -135.16 -161.24 9.3 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -80.5 0.07 35.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 0.0 110.299 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -82.12 -52.71 3.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.508 1.13 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.17 -55.98 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.744 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 64.09 132.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.9 t -72.84 155.56 39.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.404 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -137.2 149.64 47.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 77' ' ' LEU . 2.0 tp -63.66 -40.78 97.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -44.8 95.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -46.66 86.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.639 HD13 ' CD2' ' A' ' 77' ' ' LEU . 28.5 mt -65.2 -22.26 66.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -76.62 -42.0 43.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 103.33 23.59 8.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.843 ' HA ' HG22 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -94.61 -3.75 49.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.787 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.732 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -63.28 141.08 58.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.76 130.64 33.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.71 -17.53 59.12 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.758 ' SD ' HD13 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -102.35 -32.09 10.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 110.985 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.843 HG22 ' HA ' ' A' ' 109' ' ' LEU . 2.6 t -68.98 122.57 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 86.34 2.34 85.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.112 . . . . 0.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 0.6 OUTLIER -141.57 101.95 6.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.77 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -58.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 0.0 110.964 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -53.69 50.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.1 -34.28 78.68 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.546 1.154 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.542 ' CG ' HD11 ' A' ' 124' ' ' LEU . 31.1 tt0 -66.12 -44.47 84.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 110.349 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.62 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -66.32 -37.74 86.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.35 -23.8 62.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.088 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.758 HD13 ' SD ' ' A' ' 113' ' ' MET . 0.4 OUTLIER -80.65 -37.97 29.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.542 HD11 ' CG ' ' A' ' 120' ' ' GLN . 0.5 OUTLIER -85.68 116.12 23.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.99 157.92 0.27 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 109.03 2.85 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.502 1.79 . . . . 0.0 111.042 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 152.84 -44.53 0.61 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -33.05 70.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.4 mt -60.65 -44.08 96.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.4 t -59.85 -39.95 81.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.76 -42.39 79.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.462 ' CG1' HD22 ' A' ' 106' ' ' LEU . 50.2 mt -67.57 -39.31 82.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.518 HG22 ' HB3' ' A' ' 44' ' ' MET . 26.1 m -63.41 -47.48 81.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.25 -47.94 69.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 46.3 p -56.88 -33.75 67.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.53 -41.32 72.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.576 HD23 ' SD ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -62.96 -36.79 84.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -68.16 -40.3 82.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.263 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.18 -29.37 69.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.583 ' CE2' HD22 ' A' ' 61' ' ' LEU . 27.6 t80 -65.21 -50.26 66.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.74 -29.63 68.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -65.86 -39.93 91.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.518 HG22 ' HB3' ' A' ' 68' ' ' LEU . 25.2 t -74.97 -42.05 45.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.493 ' O ' ' CZ ' ' A' ' 32' ' ' ARG . . . -55.21 -36.18 65.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.47 -38.19 68.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.23 -175.69 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -176.86 71.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -117.98 120.1 32.93 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 78.28 2.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -103.33 151.96 22.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.593 ' HA3' ' HB3' ' A' ' 154' ' ' ALA . . . -101.89 157.94 18.53 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.575 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.2 Cg_endo -75.02 -47.11 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.441 1.759 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' TRP . . . . . 0.676 ' CH2' HD11 ' A' ' 180' ' ' LEU . 31.0 p90 -101.24 -20.63 15.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 108.026 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.593 ' HB3' ' HA3' ' A' ' 151' ' ' GLY . . . -62.84 -32.02 73.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.1 -21.42 46.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.531 HG22 ' CE1' ' A' ' 167' ' ' PHE . 7.0 mt -83.54 120.42 34.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.609 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 3.0 m -131.8 133.8 45.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.582 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 22.2 tp60 -73.6 128.41 35.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.158 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -118.76 166.2 12.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -25.42 12.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.443 1.759 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.43 -27.77 59.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.42 135.13 45.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.41 ' HB2' ' CB ' ' A' ' 166' ' ' ASP . 65.3 m -57.82 151.38 17.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.788 ' CE2' HG23 ' A' ' 219' ' ' ILE . 1.1 t80 -69.74 -43.1 72.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.955 HG21 HD11 ' A' ' 223' ' ' LEU . 1.0 OUTLIER -70.79 -46.55 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.41 ' CB ' ' HB2' ' A' ' 163' ' ' SER . 13.5 t70 -56.26 -48.08 77.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.609 ' CE1' ' C ' ' A' ' 157' ' ' THR . 59.7 t80 -66.47 -42.51 87.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -56.23 -37.38 69.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -63.65 -44.05 94.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -62.52 -37.42 86.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.58 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.5 OUTLIER -70.82 -49.93 41.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.519 HG12 HD13 ' A' ' 189' ' ' ILE . 23.3 mt -57.77 -43.93 84.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -61.87 -36.2 80.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.48 -52.51 31.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 0.605 HG21 HG13 ' A' ' 189' ' ' ILE . 40.0 t -57.15 -44.99 84.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.446 ' OE2' HG22 ' A' ' 172' ' ' ILE . 1.7 mt-10 -53.38 -39.45 64.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -103.77 35.19 5.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 5.0 p -118.97 166.41 12.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 0.809 . . . . 0.0 109.992 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -89.04 76.4 7.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.676 HD11 ' CH2' ' A' ' 153' ' ' TRP . 29.9 mt -123.82 155.32 66.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.74 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.3 Cg_endo -75.04 167.1 27.75 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 64.0 6.07 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.468 1.773 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 4.2 t -179.73 -37.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.459 1.099 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.74 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -72.19 -11.74 60.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 185' ' ' ARG . . . . . 0.507 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 21.0 mtm105 -84.49 67.55 9.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.901 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 175.45 -57.54 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 187' ' ' PRO . . . . . 0.901 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.4 Cg_endo -74.91 -26.61 10.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 44.8 t -68.42 -41.38 83.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.605 HG13 HG21 ' A' ' 175' ' ' VAL . 24.4 mt -66.67 -48.87 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 190' ' ' ILE . . . . . 0.733 HD11 ' C ' ' A' ' 214' ' ' THR . 65.3 mt -68.26 -37.81 78.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 191' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 187' ' ' PRO . 6.7 t70 -62.11 -36.21 81.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 192' ' ' CYS . . . . . 0.411 ' HA ' ' HB2' ' A' ' 195' ' ' GLN . 14.6 m -60.41 -46.52 89.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 193' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -56.71 -50.59 71.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 194' ' ' ARG . . . . . 0.538 ' HB3' HG21 ' A' ' 205' ' ' ILE . 3.8 ptp180 -78.32 2.67 17.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 195' ' ' GLN . . . . . 0.411 ' HB2' ' HA ' ' A' ' 192' ' ' CYS . 0.0 OUTLIER -81.08 -56.06 4.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.248 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 196' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 197' ' ' SER . 41.6 tttm -126.79 -84.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 197' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 196' ' ' LYS . 3.8 m 34.44 -150.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.996 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 198' ' ' GLN . . . . . 0.511 ' N ' ' CD ' ' A' ' 198' ' ' GLN . 0.0 OUTLIER -107.57 170.33 5.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -33.91 4.23 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.536 1.808 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -63.97 -50.1 69.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 18.5 mm -70.27 -44.18 77.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -56.14 -46.45 79.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -61.05 -31.24 70.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.699 HD13 HG13 ' A' ' 222' ' ' VAL . 0.6 OUTLIER -68.49 -49.68 57.92 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.598 ' O ' ' HB3' ' A' ' 208' ' ' ALA . 0.5 OUTLIER -63.3 -48.16 88.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -60.46 -36.29 77.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -86.92 5.02 39.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.244 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 208' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -70.36 161.54 75.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 209' ' ' PRO . . . . . 0.501 ' HB2' HG22 ' A' ' 211' ' ' THR . 18.4 Cg_endo -74.99 154.96 42.92 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.83 24.3 4.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 211' ' ' THR . . . . . 0.501 HG22 ' HB2' ' A' ' 209' ' ' PRO . 15.1 t -107.44 -6.28 17.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.373 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 212' ' ' LEU . . . . . 0.622 ' O ' HG23 ' A' ' 213' ' ' THR . 0.5 OUTLIER -144.61 142.59 30.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.1 p -158.03 47.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 214' ' ' THR . . . . . 0.733 ' C ' HD11 ' A' ' 190' ' ' ILE . 72.3 p -121.7 158.39 54.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.382 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 55.17 3.86 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.483 1.78 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -160.78 -53.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.3 -35.49 63.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 218' ' ' ILE . . . . . 0.721 HG12 HD13 ' A' ' 190' ' ' ILE . 1.2 mp -61.8 -43.11 96.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 219' ' ' ILE . . . . . 0.788 HG23 ' CE2' ' A' ' 164' ' ' PHE . 5.0 mt -75.15 -44.42 43.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -55.88 -42.71 76.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.521 ' CE2' HD22 ' A' ' 204' ' ' LEU . 1.0 OUTLIER -67.66 -45.42 75.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.699 HG13 HD13 ' A' ' 204' ' ' LEU . 5.6 t -60.11 -44.61 95.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.955 HD11 HG21 ' A' ' 165' ' ' VAL . 85.0 mt -65.47 -37.94 88.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -65.18 -33.07 75.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.323 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 225' ' ' ARG . . . . . 0.446 ' CB ' HD21 ' A' ' 204' ' ' LEU . 0.7 OUTLIER -79.44 -43.81 22.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.285 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -51.64 -47.81 63.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 39.9 pttt 41.9 -150.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 24.7 mm -142.76 92.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 229' ' ' ALA . . . . . 0.842 ' HB3' ' HD3' ' A' ' 230' ' ' PRO . . . -68.9 -54.69 12.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 230' ' ' PRO . . . . . 0.842 ' HD3' ' HB3' ' A' ' 229' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.439 ' N ' ' HG2' ' A' ' 117' ' ' PRO . 15.7 t-105 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.439 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 70.0 p -132.28 143.09 47.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.401 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 12' ' ' THR . 18.3 Cg_endo -74.99 124.43 8.63 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.482 1.78 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.736 HD11 HD11 ' A' ' 19' ' ' ILE . 11.8 tp -116.79 152.98 33.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.517 ' HG2' HD12 ' A' ' 18' ' ' LEU . 3.7 tp10 -108.26 102.81 48.25 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.03 -32.67 5.15 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.458 1.767 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -65.28 -47.09 77.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.517 HD12 ' HG2' ' A' ' 15' ' ' GLU . 96.7 mt -69.14 -39.25 78.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.736 HD11 HD11 ' A' ' 14' ' ' LEU . 64.6 mt -70.54 -36.58 66.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 16' ' ' PRO . 5.4 m -64.08 -50.29 68.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.362 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 22' ' ' LEU . 5.1 ptp180 -61.64 -40.65 95.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.648 HD13 HD23 ' A' ' 43' ' ' LEU . 1.2 mt -66.43 -45.79 78.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.28 -32.27 73.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.456 ' O ' HG23 ' A' ' 28' ' ' THR . 0.3 OUTLIER -62.18 -47.63 83.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.578 HG22 ' OE1' ' A' ' 39' ' ' GLU . 1.2 m -61.24 -37.76 84.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.416 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.742 HG22 ' HA ' ' A' ' 36' ' ' THR . 2.3 t -63.34 -41.29 92.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -67.29 -47.98 69.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 24' ' ' ASP . 65.4 p -70.22 -30.77 67.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.372 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 25' ' ' THR . 16.0 mmtt -81.05 -13.96 58.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.08 128.65 0.36 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.729 HD13 ' CE1' ' A' ' 140' ' ' PHE . 0.9 OUTLIER -67.25 -20.06 65.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -89.2 2.4 54.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -105.27 153.55 39.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.947 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.424 ' O ' ' CB ' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -74.99 97.89 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 111.036 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.484 HG23 ' OE2' ' A' ' 39' ' ' GLU . 0.1 OUTLIER 168.43 -31.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.742 ' HA ' HG22 ' A' ' 26' ' ' VAL . 2.8 m -58.53 -47.79 83.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.424 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 32.0 mmt -64.36 -41.43 96.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.29 -50.5 65.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.581 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 46.5 mt-10 -59.87 -47.46 85.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.538 HG12 HD21 ' A' ' 137' ' ' LEU . 37.7 t -60.75 -49.04 86.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.564 ' HG3' HD22 ' A' ' 137' ' ' LEU . 7.6 mt-10 -63.37 -24.2 67.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.581 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -61.89 -55.86 25.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.656 HD11 HD21 ' A' ' 56' ' ' LEU . 1.2 pp -73.08 -44.64 60.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.511 ' CE ' ' CE ' ' A' ' 57' ' ' MET . 14.8 mtt -69.83 -9.93 56.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' GLU . 46.9 t -35.34 -35.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' MET . 6.7 p -101.38 158.9 30.9 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 149.87 37.54 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 0.0 111.025 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.688 HD13 HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -149.56 -177.04 5.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.75 ' O ' HG23 ' A' ' 53' ' ' VAL . 9.0 mt -86.5 162.49 45.17 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.633 ' O ' HG23 ' A' ' 54' ' ' THR . 18.2 Cg_endo -75.02 -26.25 11.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.804 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -67.93 -51.12 51.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.562 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -62.87 -32.22 73.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 49' ' ' LEU . 9.5 t -54.49 -44.52 68.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 50' ' ' PRO . 18.9 p -65.64 -36.98 85.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.384 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -67.38 -43.54 81.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.656 HD21 HD11 ' A' ' 43' ' ' LEU . 14.4 tp -66.68 -54.39 23.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.55 ' HG2' ' CE2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -57.82 -39.92 78.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 61' ' ' LEU . 8.2 ttt85 -56.7 -36.86 70.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.3 t -74.63 -35.43 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.466 ' HB ' HD23 ' A' ' 61' ' ' LEU . 3.6 mt -72.79 -43.64 60.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -121.94 130.36 53.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.575 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -50.01 -178.2 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.467 ' HA ' ' HB3' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.06 -18.75 18.34 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.919 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.1 -56.76 5.29 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.919 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.0 -24.05 13.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.455 1.766 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.543 ' HA ' HD12 ' A' ' 61' ' ' LEU . 2.9 t80 -55.55 -40.85 72.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.49 -36.83 85.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.562 ' HB3' HG22 ' A' ' 143' ' ' VAL . 7.4 mp -66.54 -42.51 87.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.55 ' CE2' ' HG2' ' A' ' 57' ' ' MET . 28.3 t90 -68.74 -34.51 75.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 107.986 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.417 ' HE2' ' CZ3' ' A' ' 69' ' ' TRP . 0.9 OUTLIER -65.98 -36.21 82.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -71.56 -47.48 54.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.86 -45.82 80.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 19.9 t90 -50.66 -42.02 56.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 108.017 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.403 ' O ' ' OE1' ' A' ' 78' ' ' GLN . . . -58.76 -44.09 96.06 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.2 t -67.91 -46.27 82.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -54.43 -46.18 73.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.636 ' CD2' HD13 ' A' ' 106' ' ' LEU . 3.1 mt -56.79 -42.12 78.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 74' ' ' GLY . 0.6 OUTLIER -67.79 -30.21 69.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 110.274 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.84 -35.19 78.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.402 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.5 t -69.32 -35.35 67.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.635 HG13 HG23 ' A' ' 101' ' ' THR . 1.5 mp -75.49 -50.1 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.9 -47.43 85.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.77 -43.19 80.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.14 -49.01 78.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.175 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.43 -29.35 69.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -75.14 -41.58 58.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.252 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -129.35 115.66 18.52 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 54.94 3.77 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.553 1.817 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.44 14.35 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.442 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -83.84 134.37 44.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.599 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -22.08 15.22 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.53 -22.12 66.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 90' ' ' HIS . 14.5 p30 -100.34 154.1 18.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.447 ' O ' ' NH2' ' A' ' 125' ' ' ARG . . . 145.11 95.42 0.19 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -159.58 50.99 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 110.32 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 133.24 -155.49 21.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.6 -0.02 45.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -97.77 -57.92 1.01 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 69.53 70.06 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.736 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.73 118.74 17.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.635 HG23 HG13 ' A' ' 81' ' ' ILE . 2.6 t -74.49 170.2 16.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 110.369 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -153.88 146.67 24.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.367 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.503 HD12 HD13 ' A' ' 81' ' ' ILE . 1.2 tp -56.0 -30.88 62.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -66.23 -44.93 82.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -59.48 -47.33 85.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.636 HD13 ' CD2' ' A' ' 77' ' ' LEU . 48.0 mt -71.66 -15.76 62.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.85 -57.04 6.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.458 ' HA2' ' CE ' ' A' ' 113' ' ' MET . . . 113.74 22.26 5.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -104.92 5.34 32.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 0.772 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.821 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.39 171.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.06 124.18 24.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.249 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 83.45 9.6 83.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.821 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 45.9 mtp -103.32 -22.7 13.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.63 134.54 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.77 3.18 66.41 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.13 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.77 99.4 2.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.439 ' HG2' ' N ' ' A' ' 11' ' ' TRP . 18.4 Cg_endo -75.0 -37.53 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -77.48 -32.23 54.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -76.38 -42.62 22.41 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.453 1.096 . . . . 0.0 111.037 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.439 ' HG3' ' N ' ' A' ' 121' ' ' ALA . 21.6 pt20 -61.24 -44.54 97.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.439 ' N ' ' HG3' ' A' ' 120' ' ' GLN . . . -61.52 -42.61 99.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.78 -19.04 61.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.51 HD23 ' HG ' ' A' ' 124' ' ' LEU . 0.2 OUTLIER -79.49 -30.99 42.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.351 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.804 HD11 ' CE ' ' A' ' 113' ' ' MET . 1.0 OUTLIER -88.53 103.56 16.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 94' ' ' GLY . 0.0 OUTLIER -39.19 159.09 0.11 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.327 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 108.5 2.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.544 1.813 . . . . 0.0 110.992 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 154.69 -41.59 0.61 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 0.2 OUTLIER -66.25 -39.54 89.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 110.255 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.1 mt -59.13 -42.39 90.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.9 t -59.26 -39.87 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -56.71 -41.02 76.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.461 HG21 ' HB3' ' A' ' 50' ' ' PRO . 42.0 mt -69.01 -38.81 78.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.486 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 21.5 m -63.9 -48.68 75.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.34 -43.74 93.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 82.5 p -63.69 -34.1 77.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.984 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.7 -39.8 80.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.564 HD22 ' HG3' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -70.08 -34.02 72.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -71.84 -39.82 69.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.84 -33.06 74.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.729 ' CE1' HD13 ' A' ' 31' ' ' LEU . 2.6 t80 -65.45 -57.36 8.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -24.7 50.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -68.13 -41.87 81.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.562 HG22 ' HB3' ' A' ' 68' ' ' LEU . 5.4 t -68.92 -40.59 81.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -64.5 -49.57 70.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -59.48 -36.72 76.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.525 HD22 HD23 ' A' ' 68' ' ' LEU . 1.4 tp -49.19 100.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -167.88 166.98 13.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.268 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.539 ' OE1' ' HB2' ' A' ' 150' ' ' ALA . 1.0 OUTLIER -117.47 102.9 51.74 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 63.81 6.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.487 1.783 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.539 ' HB2' ' OE1' ' A' ' 148' ' ' GLU . . . -87.55 112.29 22.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 133.82 78.69 0.12 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.515 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.2 Cg_endo -75.04 -39.47 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.558 1.82 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' TRP . . . . . 0.845 ' CH2' HD11 ' A' ' 180' ' ' LEU . 32.6 p90 -51.63 -26.5 9.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 107.968 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.86 76.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 152' ' ' PRO . 62.0 m-20 -87.31 -22.09 25.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.887 HG22 ' CE1' ' A' ' 167' ' ' PHE . 26.4 mt -85.56 120.87 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.517 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 18.6 p -128.9 145.39 51.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.397 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.57 ' NE2' ' O ' ' A' ' 159' ' ' GLY . 18.2 tp60 -76.97 104.6 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.57 ' O ' ' NE2' ' A' ' 158' ' ' GLN . . . -106.35 163.84 13.61 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -17.84 19.18 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.64 -24.5 58.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -120.33 135.47 55.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 27.4 m -57.56 156.52 8.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.954 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.79 ' CE2' HG23 ' A' ' 219' ' ' ILE . 1.4 t80 -65.02 -52.14 57.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.924 HG23 HG21 ' A' ' 219' ' ' ILE . 0.8 OUTLIER -62.85 -45.48 98.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.437 ' N ' ' CG1' ' A' ' 165' ' ' VAL . 1.1 m-20 -56.31 -47.84 77.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.887 ' CE1' HG22 ' A' ' 156' ' ' ILE . 9.5 t80 -67.17 -33.73 76.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.416 ' O ' HD12 ' A' ' 172' ' ' ILE . . . -64.71 -33.35 75.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -67.23 -49.69 63.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.404 ' HD2' ' N ' ' A' ' 170' ' ' ARG . 4.2 mpt_? -61.88 -37.74 85.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.882 HD12 ' CZ ' ' A' ' 167' ' ' PHE . 3.5 tt -69.46 -49.36 55.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.514 HG12 HD13 ' A' ' 189' ' ' ILE . 36.7 mt -57.81 -45.67 87.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -60.74 -35.58 76.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.83 -51.98 34.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 0.497 HG23 HD23 ' A' ' 171' ' ' LEU . 46.8 t -57.15 -46.71 84.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -52.17 -40.71 61.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -100.22 27.77 18.81 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.559 1.162 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 26.2 p -111.73 166.08 11.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 110.014 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.7 84.52 5.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.845 HD11 ' CH2' ' A' ' 153' ' ' TRP . 27.9 mt -129.18 156.94 77.48 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.55 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.3 Cg_endo -75.02 162.02 37.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 182' ' ' PRO . . . . . 0.426 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.3 Cg_endo -74.97 78.69 2.83 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.486 1.782 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 183' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.5 OUTLIER 163.9 -30.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.55 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -81.12 -11.64 59.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 185' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 83.6 mtm180 -83.6 69.94 10.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.916 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 175.08 -57.76 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 187' ' ' PRO . . . . . 0.916 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -74.98 -28.39 9.25 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.518 1.799 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 24.1 t -67.47 -38.81 81.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.514 HD13 HG12 ' A' ' 172' ' ' ILE . 53.9 mt -66.72 -48.32 80.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 190' ' ' ILE . . . . . 0.668 HD11 ' C ' ' A' ' 214' ' ' THR . 49.1 mt -69.26 -36.15 71.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -64.11 -37.53 87.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 63.5 m -60.51 -46.26 90.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 108.293 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 193' ' ' PHE . . . . . 0.408 ' O ' ' OG ' ' A' ' 197' ' ' SER . 12.6 m-30 -53.81 -38.3 64.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -98.32 9.75 42.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -87.62 -45.05 10.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.91 71.04 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 197' ' ' SER . . . . . 0.463 ' HB3' ' CG ' ' A' ' 158' ' ' GLN . 1.6 m -138.41 167.16 22.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 198' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 197' ' ' SER . 2.1 mp0 -38.34 154.46 0.13 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -37.23 2.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.46 1.768 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -44.36 88.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 18.3 mm -72.94 -37.38 53.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -70.34 -43.84 69.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.33 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -62.04 -32.01 72.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.53 HD11 ' HG2' ' A' ' 225' ' ' ARG . 0.3 OUTLIER -68.14 -48.98 63.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.496 ' O ' ' HB3' ' A' ' 208' ' ' ALA . 0.4 OUTLIER -64.16 -39.86 87.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -63.15 -33.84 76.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -89.23 2.43 54.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 208' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -61.98 155.08 65.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 209' ' ' PRO . . . . . 0.436 ' HD2' HD11 ' A' ' 212' ' ' LEU . 18.5 Cg_endo -74.97 154.65 42.79 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.499 1.789 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.91 14.18 9.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.982 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 9.0 m -96.82 -11.64 24.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.473 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 212' ' ' LEU . . . . . 0.698 ' O ' HG23 ' A' ' 213' ' ' THR . 0.4 OUTLIER -142.05 142.31 32.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 212' ' ' LEU . 2.0 p -159.87 43.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.396 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 214' ' ' THR . . . . . 0.668 ' C ' HD11 ' A' ' 190' ' ' ILE . 34.1 p -116.52 157.92 44.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 215' ' ' PRO . . . . . 0.417 ' HB3' HG21 ' A' ' 189' ' ' ILE . 18.5 Cg_endo -74.94 55.39 3.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.436 1.756 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -159.67 -55.03 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.51 1.131 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 217' ' ' GLU . . . . . 0.404 ' CD ' ' OG1' ' A' ' 214' ' ' THR . 1.0 OUTLIER -74.27 -34.02 63.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 0.771 . . . . 0.0 110.307 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 218' ' ' ILE . . . . . 0.53 HG12 HD13 ' A' ' 190' ' ' ILE . 1.3 mp -62.09 -42.46 95.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 219' ' ' ILE . . . . . 0.924 HG21 HG23 ' A' ' 165' ' ' VAL . 3.4 mt -73.5 -47.33 45.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -55.77 -39.67 71.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.474 ' CZ ' HD23 ' A' ' 204' ' ' LEU . 0.9 OUTLIER -67.4 -46.14 74.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 111.011 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.441 HG22 ' HB3' ' A' ' 204' ' ' LEU . 6.1 t -60.59 -47.56 92.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.427 HD11 ' CG2' ' A' ' 165' ' ' VAL . 43.3 mt -65.39 -36.59 84.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.43 -37.46 87.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 225' ' ' ARG . . . . . 0.53 ' HG2' HD11 ' A' ' 204' ' ' LEU . 0.1 OUTLIER -78.48 -32.22 48.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.308 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -58.62 -50.37 74.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.253 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -128.76 72.09 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 5.3 tp -52.52 144.16 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . -168.49 87.57 0.67 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.197 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.471 ' CD1' ' HG3' ' A' ' 118' ' ' GLN . 5.1 m-90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -130.01 122.64 20.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 126.47 9.99 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.503 1.791 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.984 HD11 HD11 ' A' ' 19' ' ' ILE . 0.6 OUTLIER -64.76 147.11 53.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.434 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -96.14 110.24 51.17 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.401 ' O ' ' N ' ' A' ' 20' ' ' THR . 18.3 Cg_endo -74.93 -26.24 11.25 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -65.03 -50.92 64.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.488 HD23 ' HE ' ' A' ' 21' ' ' ARG . 30.0 mt -60.36 -42.5 95.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.984 HD11 HD11 ' A' ' 14' ' ' LEU . 26.8 mt -69.33 -36.47 72.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 16' ' ' PRO . 1.7 m -61.97 -50.42 72.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.432 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.488 ' HE ' HD23 ' A' ' 18' ' ' LEU . 2.9 ptp180 -62.3 -38.55 89.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.247 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.561 HD13 ' HB3' ' A' ' 43' ' ' LEU . 6.0 mt -67.03 -38.41 85.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.414 ' CB ' HG12 ' A' ' 59' ' ' VAL . . . -68.69 -32.96 73.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.869 ' O ' HG23 ' A' ' 28' ' ' THR . 2.2 m-20 -62.2 -47.31 85.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.492 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.9 m -59.21 -37.95 78.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.425 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.87 HG13 HG23 ' A' ' 36' ' ' THR . 43.4 t -62.27 -45.73 98.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.449 ' HA ' ' CD2' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -66.48 -48.43 69.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.33 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.869 HG23 ' O ' ' A' ' 24' ' ' ASP . 50.8 p -66.35 -31.04 71.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.628 ' CG ' HG21 ' A' ' 35' ' ' ILE . 18.9 mmtm -83.35 -14.39 52.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.72 128.32 6.13 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.491 HD13 ' HZ ' ' A' ' 140' ' ' PHE . 2.4 mm? -67.29 -30.16 69.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.99 2.2 54.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.65 161.2 48.67 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.0 110.003 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -33.55 4.55 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.628 HG21 ' CG ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -52.12 -25.37 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.87 HG23 HG13 ' A' ' 26' ' ' VAL . 19.9 m -62.84 -49.17 75.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -38.45 91.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.34 -50.16 64.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.521 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -61.62 -47.3 86.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 36' ' ' THR . 76.4 t -59.91 -43.98 93.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.462 ' HG3' ' CD2' ' A' ' 137' ' ' LEU . 20.0 mt-10 -68.73 -24.64 64.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -61.49 -54.98 36.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.642 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -72.21 -48.42 43.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.562 ' HB3' HG22 ' A' ' 133' ' ' THR . 23.2 mtt -67.0 -10.6 51.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 41' ' ' GLU . 16.0 t -37.72 -31.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.996 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' MET . 3.5 p -109.78 161.54 23.82 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.02 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 149.19 36.46 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.737 HD13 HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -146.51 -172.35 3.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.804 HD21 ' HB2' ' A' ' 121' ' ' ALA . 0.3 OUTLIER -86.35 163.97 40.07 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.526 ' O ' HG23 ' A' ' 54' ' ' THR . 18.2 Cg_endo -75.06 -35.79 2.89 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.53 1.805 . . . . 0.0 110.976 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.74 -45.71 74.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.606 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.45 -33.98 76.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 49' ' ' LEU . 4.3 t -54.87 -47.06 75.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 50' ' ' PRO . 33.0 p -66.75 -33.19 75.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.399 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -66.33 -44.66 82.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.642 HD21 ' CD1' ' A' ' 43' ' ' LEU . 2.4 tp -67.58 -51.66 47.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . 1.03 ' O ' HD12 ' A' ' 61' ' ' LEU . 11.3 mmt -57.93 -33.53 68.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.572 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 4.6 ttt180 -63.55 -37.33 86.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.348 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.414 HG12 ' CB ' ' A' ' 23' ' ' ALA . 46.7 t -68.12 -44.64 84.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.458 HG21 ' HE2' ' A' ' 140' ' ' PHE . 83.6 mt -71.03 -43.23 76.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.03 HD12 ' O ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -118.02 121.83 41.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.478 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -53.54 -168.44 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.45 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.99 -19.28 18.02 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.534 1.807 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.936 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.69 -59.05 3.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.936 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.91 4.48 4.65 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.488 1.783 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 58' ' ' ARG . 0.8 OUTLIER -77.2 -50.05 13.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.967 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.98 -30.68 68.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.914 ' HB3' HG22 ' A' ' 143' ' ' VAL . 8.3 mp -71.86 -42.15 67.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.516 ' CZ3' ' CE3' ' A' ' 73' ' ' TRP . 62.5 t90 -70.89 -40.6 72.12 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.5 mmt -62.95 -38.72 92.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -70.95 -42.09 70.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.56 -30.08 64.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.516 ' CE3' ' CZ3' ' A' ' 69' ' ' TRP . 17.0 t90 -72.05 -40.59 68.24 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.71 -45.61 93.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 25.0 t -68.16 -45.29 83.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -55.65 -45.55 77.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.784 ' HB3' HD11 ' A' ' 103' ' ' LEU . 3.4 mt -58.71 -50.38 74.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -59.11 -29.98 67.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.465 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -63.47 -35.21 79.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.389 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.534 HG11 HD11 ' A' ' 106' ' ' LEU . 2.6 t -70.73 -38.26 72.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.532 HG13 HG23 ' A' ' 101' ' ' THR . 1.4 mp -70.0 -50.42 48.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.27 94.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 79' ' ' THR . . . -57.95 -45.58 86.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.88 -35.12 79.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.5 m -68.32 -34.63 76.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.382 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -74.67 -43.21 56.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 110.291 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.12 120.86 13.06 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.86 3.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -128.52 3.87 5.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 0.2 OUTLIER -73.28 139.72 79.05 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.558 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -74.99 -24.36 12.93 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.24 -6.54 55.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 100' ' ' ARG . 0.7 OUTLIER -106.45 150.84 25.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.84 -133.99 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -173.42 48.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 0.782 . . . . 0.0 110.303 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -105.55 -144.18 12.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.65 0.04 52.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 110.263 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 167.02 51.28 0.03 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -74.11 -73.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.412 ' N ' ' OD1' ' A' ' 93' ' ' ASN . 50.4 mtt180 60.72 147.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.532 HG23 HG13 ' A' ' 81' ' ' ILE . 4.5 t -97.18 170.53 9.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -140.44 165.77 26.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.784 HD11 ' HB3' ' A' ' 77' ' ' LEU . 2.1 tp -63.87 -30.09 71.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -63.29 -45.44 91.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.236 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.25 -45.08 92.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.78 HD13 ' CD2' ' A' ' 77' ' ' LEU . 10.0 mt -74.04 -15.8 61.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.74 -51.94 17.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 107.49 18.74 9.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.13 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.683 HD12 HG13 ' A' ' 114' ' ' VAL . 12.0 tp -98.12 4.85 49.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.785 ' HB3' ' CE ' ' A' ' 113' ' ' MET . . . -58.85 141.68 52.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.3 130.56 10.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 91.33 -15.48 61.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.785 ' CE ' ' HB3' ' A' ' 110' ' ' ALA . 12.0 mtm -102.87 -17.64 15.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.683 HG13 HD12 ' A' ' 109' ' ' LEU . 2.4 t -76.74 122.73 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 87.63 3.16 81.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -138.59 102.21 7.93 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -61.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.471 ' HG3' ' CD1' ' A' ' 11' ' ' TRP . 3.0 tm0? -54.41 -50.68 67.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.16 -37.77 92.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.455 ' HG2' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -63.07 -44.41 95.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.278 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.804 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -66.47 -34.26 77.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.26 -22.61 57.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.711 HD23 ' O ' ' A' ' 123' ' ' LEU . 2.2 tt -79.07 -37.19 39.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.671 HD21 ' CE ' ' A' ' 113' ' ' MET . 0.7 OUTLIER -83.72 111.21 18.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.5 158.33 0.13 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 109.05 2.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 156.83 -40.11 0.56 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -32.94 74.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.753 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.601 ' HA ' HD12 ' A' ' 132' ' ' ILE . 4.9 mt -59.6 -43.56 93.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.0 t -62.98 -39.76 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.237 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.5 -38.83 72.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.601 HD12 ' HA ' ' A' ' 129' ' ' LEU . 17.3 mt -68.74 -38.75 79.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.562 HG22 ' HB3' ' A' ' 44' ' ' MET . 1.3 m -66.07 -48.9 69.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.379 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.04 96.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.4 m -67.8 -35.12 78.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.994 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.17 95.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.495 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -67.03 -39.66 87.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -34.44 77.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.254 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -70.95 -32.15 68.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.538 ' CZ ' ' CG2' ' A' ' 36' ' ' THR . 2.7 t80 -61.52 -64.23 1.01 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -53.97 -27.55 31.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 110.35 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -67.55 -30.81 70.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.914 HG22 ' HB3' ' A' ' 68' ' ' LEU . 20.2 t -84.94 -42.33 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.25 -41.5 88.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -74.64 -40.13 61.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.285 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -45.06 158.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -176.67 -84.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.48 102.82 51.76 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.298 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 57.66 4.63 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -103.21 150.92 23.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.81 81.42 0.94 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.584 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.2 Cg_endo -75.09 -29.12 8.42 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.45 1.763 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' TRP . . . . . 0.648 ' HA ' HD12 ' A' ' 156' ' ' ILE . 40.4 p90 -56.09 -21.41 22.0 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.05 -32.74 74.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -85.68 -21.99 28.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 153' ' ' TRP . 21.6 mt -76.27 120.59 26.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.598 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 43.9 m -127.63 135.3 50.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.429 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.565 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 6.1 tm0? -75.87 129.87 37.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -107.01 157.91 15.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.79 18.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.1 -15.87 37.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.004 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -105.42 135.44 46.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.45 149.44 20.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.571 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.3 OUTLIER -63.35 -52.37 62.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 1.039 HG23 HG21 ' A' ' 219' ' ' ILE . 1.8 p -63.56 -37.26 79.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -58.26 -47.96 81.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.645 ' CE2' HD12 ' A' ' 171' ' ' LEU . 90.5 t80 -67.31 -31.45 71.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 111.046 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.546 ' O ' HD12 ' A' ' 172' ' ' ILE . . . -63.44 -39.03 93.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -64.79 -46.67 81.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -59.78 -37.16 78.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.229 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.645 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.3 OUTLIER -72.06 -49.48 36.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.225 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.559 HG22 ' OE1' ' A' ' 176' ' ' GLU . 10.7 mt -57.83 -35.43 51.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -38.49 82.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.69 -51.69 39.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 0.926 HG13 HD12 ' A' ' 180' ' ' LEU . 58.1 t -59.49 -48.14 88.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.559 ' OE1' HG22 ' A' ' 172' ' ' ILE . 32.3 mt-10 -51.94 -38.7 57.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.277 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -102.38 34.74 5.47 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 59.3 p -124.36 166.5 15.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.971 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.44 85.98 6.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.926 HD12 HG13 ' A' ' 175' ' ' VAL . 21.1 mt -125.52 154.19 72.62 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.675 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.2 Cg_endo -75.03 163.47 35.22 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 65.65 6.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 37.4 t 179.49 -38.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.675 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -79.59 -10.44 59.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 185' ' ' ARG . . . . . 0.558 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 38.0 mtm180 -84.39 68.11 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.9 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 172.67 -56.45 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 187' ' ' PRO . . . . . 0.9 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -75.03 -27.73 9.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 41.4 t -66.28 -35.96 76.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.634 HD12 ' HG3' ' A' ' 215' ' ' PRO . 54.5 mt -68.71 -48.42 71.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 190' ' ' ILE . . . . . 0.913 HD11 ' C ' ' A' ' 214' ' ' THR . 45.2 mt -64.4 -36.23 76.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -62.56 -37.71 87.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 192' ' ' CYS . . . . . 0.52 ' HB3' HD11 ' A' ' 171' ' ' LEU . 9.6 m -59.58 -47.34 85.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 108.278 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 193' ' ' PHE . . . . . 0.562 ' HB3' HD13 ' A' ' 205' ' ' ILE . 11.7 m-30 -53.74 -36.29 62.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 194' ' ' ARG . . . . . 0.416 ' O ' ' NE2' ' A' ' 202' ' ' GLN . 9.1 ptp180 -101.37 12.08 38.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -92.84 -36.15 13.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.94 73.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 197' ' ' SER . . . . . . . . . . . . . 3.3 m -139.4 169.38 17.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 198' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 202' ' ' GLN . 2.3 mp0 -39.59 159.21 0.12 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -39.03 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.782 . . . . 0.0 111.038 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -50.27 68.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 17.6 mm -68.16 -37.05 77.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 202' ' ' GLN . . . . . 0.485 ' CB ' ' O ' ' A' ' 198' ' ' GLN . 2.1 tp60 -68.92 -45.09 71.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 203' ' ' GLN . . . . . 0.536 ' NE2' ' HB2' ' A' ' 207' ' ' ALA . 31.7 tp60 -64.33 -38.63 91.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.623 HD21 ' CG ' ' A' ' 225' ' ' ARG . 0.5 OUTLIER -61.81 -49.3 76.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.562 HD13 ' HB3' ' A' ' 193' ' ' PHE . 1.6 mt -64.83 -39.23 84.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -33.82 76.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 207' ' ' ALA . . . . . 0.536 ' HB2' ' NE2' ' A' ' 203' ' ' GLN . . . -88.81 0.32 56.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 208' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -61.42 156.41 52.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 209' ' ' PRO . . . . . 0.461 ' HD2' HD11 ' A' ' 212' ' ' LEU . 18.5 Cg_endo -74.98 153.3 41.79 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.781 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.3 18.91 4.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.021 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 5.4 m -99.94 -4.06 30.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 212' ' ' LEU . . . . . 0.734 ' O ' HG23 ' A' ' 213' ' ' THR . 0.2 OUTLIER -144.11 148.71 35.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.734 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.3 p -160.75 45.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 214' ' ' THR . . . . . 0.913 ' C ' HD11 ' A' ' 190' ' ' ILE . 1.4 m -122.46 149.86 56.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.356 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 215' ' ' PRO . . . . . 0.869 ' HD2' HG23 ' A' ' 214' ' ' THR . 18.3 Cg_endo -75.01 49.45 2.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.542 1.811 . . . . 0.0 110.982 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -146.86 -59.37 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -75.24 -34.29 61.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 0.793 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 218' ' ' ILE . . . . . 0.635 HD12 HD13 ' A' ' 212' ' ' LEU . 1.3 mp -57.62 -48.8 82.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 219' ' ' ILE . . . . . 1.039 HG21 HG23 ' A' ' 165' ' ' VAL . 4.7 mt -67.05 -41.9 87.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -58.82 -38.08 77.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.407 ' CE2' ' HA ' ' A' ' 208' ' ' ALA . 2.1 t80 -69.26 -48.62 61.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.51 HG22 ' HB3' ' A' ' 204' ' ' LEU . 24.9 t -60.46 -43.97 95.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 32.5 mt -66.32 -39.57 89.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.93 -42.61 99.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 225' ' ' ARG . . . . . 0.623 ' CG ' HD21 ' A' ' 204' ' ' LEU . 0.9 OUTLIER -73.4 -28.9 62.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -62.66 -48.03 81.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -92.98 157.9 16.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 1.3 pp -125.03 157.26 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . -132.23 155.26 81.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.526 1.803 . . . . 0.0 111.007 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 2.4 m -103.59 132.94 20.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.399 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 12' ' ' THR . 18.3 Cg_endo -74.98 143.83 29.59 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.055 HD21 HD12 ' A' ' 19' ' ' ILE . 1.8 tt -65.71 152.14 44.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -96.05 110.99 54.8 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.16 11.23 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.45 1.763 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -50.54 72.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.9 mt -63.56 -47.01 83.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.055 HD12 HD21 ' A' ' 14' ' ' LEU . 13.6 mt -59.76 -37.09 69.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.4 m -60.78 -38.13 84.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.348 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -49.02 75.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.827 HD21 ' OE1' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -66.53 -40.25 89.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.478 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -64.22 -32.43 74.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.3 -44.78 95.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.493 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -62.67 -37.47 86.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.758 HG22 ' HA ' ' A' ' 36' ' ' THR . 1.4 t -58.73 -49.17 83.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -48.82 80.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.5 p -68.55 -23.74 64.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.539 ' CD ' HG21 ' A' ' 35' ' ' ILE . 6.0 mmtm -90.96 -14.07 32.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 96.08 125.39 4.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.432 1.082 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.71 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -66.73 -29.5 69.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 0.738 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.72 2.49 53.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.58 166.15 26.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' MET . 18.3 Cg_endo -75.0 -46.71 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.539 HG21 ' CD ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -41.87 -28.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.759 ' O ' HG23 ' A' ' 40' ' ' VAL . 21.5 m -67.02 -49.31 65.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.421 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -64.41 -37.56 87.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.36 -51.95 26.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.827 ' OE1' HD21 ' A' ' 22' ' ' LEU . 9.3 mm-40 -59.55 -46.75 87.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 36' ' ' THR . 55.4 t -58.26 -39.9 75.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' SER . 35.2 mt-10 -71.98 -24.36 61.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -60.86 -54.87 39.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.617 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -70.29 -50.93 34.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.484 ' SD ' HD11 ' A' ' 137' ' ' LEU . 6.6 mtt -65.67 -10.56 37.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' GLU . 22.8 t -35.22 -39.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.79 162.05 22.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.023 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 147.55 33.86 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.778 HD13 HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -145.65 -178.19 5.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' A' ' 121' ' ' ALA . 0.3 OUTLIER -85.17 162.79 47.98 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.603 ' O ' HG23 ' A' ' 54' ' ' THR . 18.3 Cg_endo -75.04 -27.29 10.07 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.4 ' O ' ' OG1' ' A' ' 54' ' ' THR . 26.9 m80 -67.42 -51.45 51.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.583 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.461 ' OD2' ' N ' ' A' ' 49' ' ' LEU . 3.3 p30 -63.69 -31.96 73.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.348 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.778 HG23 HD13 ' A' ' 48' ' ' LEU . 1.3 t -54.04 -47.05 66.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 50' ' ' PRO . 43.5 p -66.58 -40.84 89.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.376 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -60.3 -40.77 91.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.617 HD21 ' CD1' ' A' ' 43' ' ' LEU . 15.1 tp -71.85 -49.74 35.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.563 ' HG2' ' CD1' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -57.65 -30.06 65.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 111.032 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 61' ' ' LEU . 3.9 ttt180 -72.28 -36.45 68.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.361 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.426 HG11 HG22 ' A' ' 19' ' ' ILE . 3.1 t -69.81 -47.93 67.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.478 HG12 ' CB ' ' A' ' 23' ' ' ALA . 29.9 mt -75.77 -43.78 39.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.819 HD11 ' HB2' ' A' ' 65' ' ' PRO . 0.2 OUTLIER -101.76 122.67 44.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.472 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -43.37 166.32 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.429 ' O ' ' HB3' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.99 -20.86 16.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.449 1.763 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.939 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -72.88 -58.78 2.51 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.939 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.0 -0.85 10.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.52 ' CE1' ' HE3' ' A' ' 70' ' ' MET . 25.3 t80 -63.53 -40.02 95.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.39 -30.0 70.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.728 ' HB3' HG22 ' A' ' 143' ' ' VAL . 8.2 mp -66.3 -48.6 69.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.734 ' CH2' ' CE3' ' A' ' 73' ' ' TRP . 22.5 t90 -59.82 -35.47 74.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.52 ' HE3' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -63.07 -44.96 94.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -62.94 -45.34 92.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.415 ' HB1' ' OE1' ' A' ' 142' ' ' GLU . . . -68.59 -37.39 79.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.734 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 15.6 t90 -61.69 -47.52 84.94 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.451 ' O ' ' NE2' ' A' ' 78' ' ' GLN . . . -53.76 -47.36 65.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.8 t -65.68 -45.54 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.76 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.409 ' O ' ' HB ' ' A' ' 79' ' ' THR . 1.5 mp0 -54.32 -43.72 71.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.706 ' HB3' HD11 ' A' ' 103' ' ' LEU . 3.0 mt -60.1 -47.09 87.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 74' ' ' GLY . 4.3 mt-30 -60.25 -36.11 77.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 76' ' ' GLN . 0.9 OUTLIER -58.17 -35.43 71.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.399 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 t -70.56 -34.33 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.805 HG13 HD13 ' A' ' 103' ' ' LEU . 19.8 mm -67.0 -49.7 71.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.23 85.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.2 -32.65 73.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.494 ' HA ' ' CD2' ' A' ' 90' ' ' HIS . . . -76.14 -50.16 15.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.58 -28.76 68.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -73.95 -43.26 58.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -120.29 116.82 32.14 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.87 3.76 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -152.37 26.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.332 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.494 ' CD2' ' HA ' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -89.7 140.78 28.08 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.612 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -75.01 -27.6 9.85 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.466 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -75.28 -12.18 60.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.4 ' CA ' ' HB ' ' A' ' 101' ' ' THR . 0.2 OUTLIER -109.27 141.75 41.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.362 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.71 -131.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.71 -56.91 4.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 118.69 -0.21 15.53 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.4 0.13 55.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.96 43.83 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -136.98 -73.23 0.43 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 0.756 . . . . 0.0 110.318 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 100' ' ' ARG . 4.1 ttp-105 61.24 148.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.539 HG23 HD12 ' A' ' 81' ' ' ILE . 10.1 t -71.07 151.92 44.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -133.1 143.0 49.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.805 HD13 HG13 ' A' ' 81' ' ' ILE . 1.6 tp -64.2 -29.58 70.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -38.92 91.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -44.43 96.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.504 HD13 ' CD2' ' A' ' 77' ' ' LEU . 16.6 mt -73.42 -30.89 63.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.87 -29.69 65.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 96.34 30.18 7.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.626 ' HA ' HG22 ' A' ' 114' ' ' VAL . 0.3 OUTLIER -103.94 4.79 35.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.78 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.649 ' O ' HG23 ' A' ' 114' ' ' VAL . . . -59.09 162.75 4.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.01 125.34 26.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.9 -6.09 83.79 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.566 1.166 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.547 ' HG2' HD12 ' A' ' 123' ' ' LEU . 7.5 mtt -103.02 -22.8 13.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 110' ' ' ALA . 2.3 t -73.41 123.49 28.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 90.29 0.15 77.27 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 16.0 m120 -134.88 103.97 10.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -64.46 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -54.34 -46.44 72.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.01 -41.05 99.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.543 1.152 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.594 ' OE1' HD11 ' A' ' 49' ' ' LEU . 1.5 tm0? -61.96 -44.02 97.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.693 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -65.95 -37.54 86.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.67 -15.16 61.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.547 HD12 ' HG2' ' A' ' 113' ' ' MET . 0.3 OUTLIER -86.31 -32.13 21.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.529 HD11 ' NE2' ' A' ' 120' ' ' GLN . 0.6 OUTLIER -90.1 115.78 27.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.55 158.01 0.17 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 108.76 2.79 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.519 1.799 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 151.76 -35.89 0.85 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.466 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 2.0 mt-10 -63.32 -41.38 98.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 0.761 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.86 -40.2 83.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.47 -40.0 82.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.32 -38.08 76.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 11.2 mt -68.91 -40.46 81.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.42 HG23 HD11 ' A' ' 48' ' ' LEU . 1.7 m -64.8 -47.0 79.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.409 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.59 -41.59 92.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.5 m -64.98 -34.31 78.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.83 -42.68 69.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.246 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.484 HD11 ' SD ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -61.7 -38.36 87.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -71.18 -34.26 70.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.05 -33.55 74.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.71 ' CZ ' HD21 ' A' ' 31' ' ' LEU . 6.2 t80 -66.02 -60.72 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -52.81 -24.92 9.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.497 ' O ' ' CD2' ' A' ' 146' ' ' LEU . 1.6 tt0 -69.14 -41.71 76.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.728 HG22 ' HB3' ' A' ' 68' ' ' LEU . 23.8 t -74.03 -42.99 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -58.05 -36.7 73.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.51 -41.01 61.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 142' ' ' GLU . 0.6 OUTLIER -127.98 120.04 26.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -118.03 84.94 2.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -107.24 102.94 46.17 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -32.43 5.36 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -67.5 106.09 2.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.554 ' HA2' ' CZ3' ' A' ' 153' ' ' TRP . . . 165.46 70.24 0.03 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.557 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo -75.0 -30.55 7.05 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.524 1.802 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' TRP . . . . . 0.824 ' CH2' HD11 ' A' ' 180' ' ' LEU . 44.9 p90 -51.71 -25.7 7.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 108.0 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.42 -33.59 75.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -82.19 -19.46 39.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.841 HG22 ' CZ ' ' A' ' 167' ' ' PHE . 9.1 mt -79.81 120.99 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.599 HG23 ' HD3' ' A' ' 196' ' ' LYS . 6.6 m -125.33 123.35 39.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.381 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.646 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 9.5 tp60 -67.6 129.31 39.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -123.72 166.92 16.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -19.67 17.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.793 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 44.6 m -71.96 -34.87 69.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -101.7 135.39 43.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.45 166.21 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 110.06 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.621 ' CE2' HG23 ' A' ' 219' ' ' ILE . 3.3 t80 -68.23 -50.04 56.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.835 HG22 HG21 ' A' ' 219' ' ' ILE . 25.4 t -68.18 -35.79 72.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -48.39 77.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.867 ' CE2' HD12 ' A' ' 171' ' ' LEU . 67.4 t80 -72.14 -30.89 65.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -65.28 -37.14 86.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -67.6 -46.53 72.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -63.01 -37.32 86.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.867 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.4 OUTLIER -71.23 -50.16 35.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.619 HG12 HD13 ' A' ' 189' ' ' ILE . 47.8 mt -57.55 -40.08 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -36.03 82.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.87 -47.84 64.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 0.508 HG13 HD12 ' A' ' 180' ' ' LEU . 44.3 t -62.07 -46.2 97.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -59.79 -47.3 86.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -69.65 -27.84 72.88 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 55.4 p -70.4 166.11 21.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.958 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -100.07 70.77 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.824 HD11 ' CH2' ' A' ' 153' ' ' TRP . 12.6 mt -97.74 160.01 29.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.641 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.2 Cg_endo -74.99 164.46 33.32 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 182' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.3 Cg_endo -75.06 77.13 3.22 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 183' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.4 OUTLIER 164.73 -30.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.029 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.641 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -83.07 -11.7 57.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 185' ' ' ARG . . . . . 0.559 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 63.4 mtm180 -86.53 70.36 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.884 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 171.76 -56.47 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 187' ' ' PRO . . . . . 0.884 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.2 Cg_endo -74.96 -31.49 6.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.528 1.804 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 63.9 t -64.14 -36.97 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.619 HD13 HG12 ' A' ' 172' ' ' ILE . 25.8 mt -67.95 -47.61 78.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 190' ' ' ILE . . . . . 0.501 HD11 ' CA ' ' A' ' 214' ' ' THR . 8.8 mt -69.07 -35.65 69.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.63 -40.63 83.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 192' ' ' CYS . . . . . 0.405 ' HB3' HD11 ' A' ' 171' ' ' LEU . 1.8 m -63.06 -47.84 81.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 108.296 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 193' ' ' PHE . . . . . 0.58 ' HB3' HD13 ' A' ' 205' ' ' ILE . 13.4 m-30 -53.74 -40.04 65.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 194' ' ' ARG . . . . . 0.452 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 3.8 ptm180 -93.28 7.66 43.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -87.01 -41.63 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 196' ' ' LYS . . . . . 0.599 ' HD3' HG23 ' A' ' 157' ' ' THR . 7.6 tttp -145.52 -89.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 197' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 196' ' ' LYS . 1.8 m 38.77 -158.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -84.16 168.81 19.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -45.44 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.42 -50.25 74.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 26.8 mm -64.58 -41.19 91.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 202' ' ' GLN . . . . . 0.419 ' NE2' ' O ' ' A' ' 194' ' ' ARG . 26.2 tp60 -63.72 -45.06 91.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -65.84 -32.71 74.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.249 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.844 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.4 OUTLIER -70.49 -49.31 49.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.58 HD13 ' HB3' ' A' ' 193' ' ' PHE . 1.4 mt -64.09 -45.87 95.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -33.97 73.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -90.84 5.02 50.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 208' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -63.81 158.56 60.32 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 153.68 41.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.21 20.23 4.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 42.9 m -101.84 -9.46 20.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.442 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 212' ' ' LEU . . . . . 0.753 ' O ' HG23 ' A' ' 213' ' ' THR . 0.3 OUTLIER -142.4 143.35 32.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.753 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.4 p -161.27 51.11 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 214' ' ' THR . . . . . 0.71 HG22 ' HD2' ' A' ' 215' ' ' PRO . 0.2 OUTLIER -126.87 158.52 68.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.428 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 215' ' ' PRO . . . . . 0.71 ' HD2' HG22 ' A' ' 214' ' ' THR . 18.5 Cg_endo -74.98 61.38 5.65 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 111.017 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -165.07 -61.0 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -74.18 -30.11 62.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 218' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 218' ' ' ILE . 0.4 OUTLIER -63.59 -42.55 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 219' ' ' ILE . . . . . 0.835 HG21 HG22 ' A' ' 165' ' ' VAL . 4.0 mt -76.18 -46.05 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.25 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -55.62 -45.02 77.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -60.41 -48.52 81.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.527 HG22 ' HB3' ' A' ' 204' ' ' LEU . 3.8 t -60.28 -50.36 80.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.608 HD11 ' CG2' ' A' ' 165' ' ' VAL . 94.7 mt -59.18 -36.3 75.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -49.0 71.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 225' ' ' ARG . . . . . 0.844 ' HB3' HD11 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -60.82 -37.69 82.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -54.43 -55.26 30.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 14.4 mttm 62.59 149.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 16.8 tt -108.72 -11.98 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . -85.62 154.93 59.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 3.7 t90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.8 p -132.79 105.13 12.81 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 125.44 9.33 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.99 102.49 4.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.413 ' CD ' HD12 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -106.49 136.54 19.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -29.8 7.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.797 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.411 ' CG ' ' N ' ' A' ' 18' ' ' LEU . 1.9 pttt -58.81 -50.19 74.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.413 HD12 ' CD ' ' A' ' 15' ' ' GLU . 42.6 mt -68.91 -44.84 72.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.544 HG23 ' CD1' ' A' ' 56' ' ' LEU . 25.0 mt -58.37 -37.56 64.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.9 m -65.71 -41.08 92.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -66.42 -45.32 80.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 26' ' ' VAL . 10.8 mt -65.58 -45.96 81.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.406 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -60.1 -39.13 85.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.823 ' O ' HG23 ' A' ' 28' ' ' THR . 0.2 OUTLIER -61.71 -44.54 96.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.516 HG22 ' CD ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -59.44 -37.3 77.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.527 ' CG1' HG23 ' A' ' 36' ' ' THR . 73.8 t -58.86 -44.48 90.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -48.37 73.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.823 HG23 ' O ' ' A' ' 24' ' ' ASP . 21.3 p -67.39 -28.13 67.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.568 ' CB ' HG21 ' A' ' 35' ' ' ILE . 9.4 mmtm -89.38 -14.45 35.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 96.07 125.62 4.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.79 -41.15 83.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.74 2.34 53.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 m -92.21 161.57 32.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.507 ' O ' ' CG1' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.0 103.66 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.456 1.766 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.568 HG21 ' CB ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER 163.37 -27.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.734 HG21 ' CE1' ' A' ' 140' ' ' PHE . 89.5 m -58.16 -48.92 78.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.482 ' SD ' HD23 ' A' ' 137' ' ' LEU . 29.7 mmt -64.13 -33.68 76.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.77 -52.26 26.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.516 ' CD ' HG22 ' A' ' 25' ' ' THR . 1.5 mt-10 -61.72 -43.84 98.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 36' ' ' THR . 70.4 t -64.53 -46.59 92.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.683 ' HG3' HD21 ' A' ' 137' ' ' LEU . 32.1 mt-10 -63.34 -24.8 68.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -66.76 -55.42 15.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.861 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -70.37 -46.54 63.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.503 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 25.1 mtt -70.51 -10.04 58.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 44' ' ' MET . 4.4 m -34.28 -36.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.005 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' MET . 1.1 m -105.76 164.97 13.91 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.89 35.79 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.512 1.796 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.784 HD13 HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -146.79 -179.63 6.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.601 HD21 ' HB2' ' A' ' 121' ' ' ALA . 3.1 mt -82.66 161.48 58.65 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.484 ' HB3' HG21 ' A' ' 132' ' ' ILE . 18.3 Cg_endo -74.95 -33.07 4.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.469 1.773 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -68.4 -44.3 75.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.593 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -33.06 74.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.784 HG23 HD13 ' A' ' 48' ' ' LEU . 2.7 t -54.69 -46.74 73.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 50' ' ' PRO . 33.9 p -65.83 -35.1 79.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -67.68 -44.23 78.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.861 HD21 ' CD1' ' A' ' 43' ' ' LEU . 9.2 tp -67.43 -47.0 71.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.494 ' HG3' ' CE2' ' A' ' 69' ' ' TRP . 12.0 mmt -59.63 -45.09 93.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 61' ' ' LEU . 4.2 ttt180 -55.33 -36.08 65.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.2 t -68.65 -34.34 64.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.695 HG21 ' HE2' ' A' ' 140' ' ' PHE . 52.5 mt -80.98 -44.45 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.555 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -116.97 130.59 56.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.485 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -51.26 -173.52 0.02 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -19.87 17.39 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.451 1.764 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.964 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -69.59 -59.42 4.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.964 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.02 3.05 5.97 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.421 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 24.0 t80 -74.18 -45.42 48.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.25 -31.15 71.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.643 HD13 ' HA ' ' A' ' 65' ' ' PRO . 6.6 mp -67.57 -43.13 81.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.625 ' CH2' HG12 ' A' ' 53' ' ' VAL . 54.1 t90 -67.64 -35.64 79.28 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.7 tpp -66.35 -36.22 82.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.78 -41.6 71.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.644 ' HB2' ' OE1' ' A' ' 142' ' ' GLU . . . -73.46 -37.15 65.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.576 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 16.4 t90 -60.08 -40.48 89.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 108.001 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.34 -40.79 98.15 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.439 1.087 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.5 t -67.97 -47.14 80.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.42 ' O ' ' HB ' ' A' ' 79' ' ' THR . 1.5 mp0 -60.66 -45.26 94.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.517 HD23 ' HA ' ' A' ' 77' ' ' LEU . 2.4 mt -55.87 -43.87 77.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -61.7 -35.08 76.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 76' ' ' GLN . 0.9 OUTLIER -62.59 -35.72 80.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.3 t -71.16 -35.21 57.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.648 HD11 HD12 ' A' ' 106' ' ' LEU . 11.3 mm -69.81 -50.22 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.4 -37.53 87.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 79' ' ' THR . . . -61.73 -49.03 78.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.65 91.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.3 m -62.26 -28.99 70.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.422 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -75.08 -42.77 56.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.27 115.74 21.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 54.82 3.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.791 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -143.48 15.87 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.46 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -81.21 136.91 49.41 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.577 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -74.97 -21.73 15.62 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.768 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.479 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -64.64 -21.99 66.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 90' ' ' HIS . 10.7 p30 -100.85 154.55 18.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 158.51 105.87 0.22 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -157.11 36.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.57 -122.79 6.49 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -76.73 0.07 21.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 99' ' ' GLU . . . -96.05 -50.56 1.9 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 98' ' ' GLY . 0.1 OUTLIER 35.97 40.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 0.731 . . . . 0.0 110.291 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.94 117.48 24.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 110.274 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.3 t -74.5 169.55 17.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -145.58 147.89 32.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.442 HD11 ' HB3' ' A' ' 77' ' ' LEU . 5.1 tp -63.57 -35.0 79.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.58 -45.45 86.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -56.8 -46.79 81.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.667 HD22 ' CG1' ' A' ' 132' ' ' ILE . 20.7 mt -69.88 -24.09 63.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -51.18 68.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.474 ' HA2' ' CE ' ' A' ' 113' ' ' MET . . . 105.51 24.26 7.17 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.093 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.807 HD12 HG11 ' A' ' 114' ' ' VAL . 24.4 tp -108.56 -3.42 18.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.542 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.33 139.63 54.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.19 137.79 55.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.3 -18.03 58.11 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.858 ' SD ' HD22 ' A' ' 123' ' ' LEU . 8.3 mtp -100.99 -38.48 8.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 0.742 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.807 HG11 HD12 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -77.91 136.14 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 94.29 3.28 63.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -161.76 117.61 1.3 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.413 ' O ' ' CG ' ' A' ' 120' ' ' GLN . 18.4 Cg_endo -74.98 -42.48 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -75.56 -25.64 57.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -74.3 -40.27 41.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.634 ' O ' HD12 ' A' ' 124' ' ' LEU . 10.4 pt20 -65.93 -40.36 91.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 0.795 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.601 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -66.45 -38.06 86.53 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.62 -19.79 54.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.858 HD22 ' SD ' ' A' ' 113' ' ' MET . 5.3 tt -83.72 -42.57 16.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.757 HD21 ' CE ' ' A' ' 113' ' ' MET . 0.4 OUTLIER -79.68 104.58 10.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.414 ' N ' ' HD2' ' A' ' 125' ' ' ARG . 0.2 OUTLIER -41.29 158.89 0.18 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 108.86 2.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.478 1.778 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 153.19 -48.91 0.52 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.479 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 17.6 mt-10 -60.48 -31.65 70.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' A' ' 132' ' ' ILE . 11.1 mt -57.8 -48.72 78.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 42.7 t -59.52 -39.35 79.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.25 -41.79 84.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.667 ' CG1' HD22 ' A' ' 106' ' ' LEU . 19.4 mt -68.95 -39.02 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.441 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 15.4 m -64.45 -45.02 89.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.412 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.5 98.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.1 t -69.02 -39.3 79.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.021 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -60.93 -41.95 97.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.683 HD21 ' HG3' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -63.09 -45.52 91.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.49 -30.76 71.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.527 ' HB3' ' NE1' ' A' ' 69' ' ' TRP . . . -67.74 -33.62 75.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.734 ' CE1' HG21 ' A' ' 36' ' ' THR . 1.8 t80 -66.75 -46.4 75.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -61.43 -26.86 68.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.644 ' OE1' ' HB2' ' A' ' 72' ' ' ALA . 1.1 tm-20 -69.97 -41.96 73.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.541 HG22 ' HB3' ' A' ' 68' ' ' LEU . 41.7 t -76.14 -42.28 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -57.08 -42.29 80.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.85 -38.08 87.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.251 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.43 HD12 ' OE2' ' A' ' 142' ' ' GLU . 0.2 OUTLIER -80.71 135.59 36.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -74.66 114.94 13.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -93.7 113.24 59.86 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 168.37 24.99 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.468 1.773 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -104.01 150.39 24.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -43.07 148.23 0.68 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 155' ' ' ASP . 18.2 Cg_endo -74.97 -47.05 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.425 1.75 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' TRP . . . . . 0.806 ' HA ' HD12 ' A' ' 156' ' ' ILE . 1.4 p90 -51.4 -35.76 40.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 108.013 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.16 -32.87 73.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 152' ' ' PRO . 3.4 t0 -79.9 -22.06 43.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.806 HD12 ' HA ' ' A' ' 153' ' ' TRP . 49.0 mt -78.78 120.81 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' THR . . . . . 1.005 HG21 ' HE2' ' A' ' 196' ' ' LYS . 24.6 m -129.12 137.13 51.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.384 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.648 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 0.1 OUTLIER -71.73 129.81 39.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -126.07 164.44 19.64 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -28.06 9.53 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 9.1 t -79.39 -11.82 59.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.038 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -114.3 135.05 54.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 167' ' ' PHE . 0.4 OUTLIER -58.13 139.2 55.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.973 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.757 ' CE2' HG23 ' A' ' 219' ' ' ILE . 18.8 t80 -65.1 -52.16 57.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.836 HG23 ' CG2' ' A' ' 219' ' ' ILE . 0.3 OUTLIER -65.35 -45.52 93.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.435 ' N ' ' CG1' ' A' ' 165' ' ' VAL . 5.4 t70 -60.35 -44.45 95.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.648 ' CZ ' ' N ' ' A' ' 158' ' ' GLN . 47.5 t80 -64.96 -41.77 95.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.407 ' O ' HD12 ' A' ' 172' ' ' ILE . . . -56.89 -37.87 72.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -63.34 -43.54 97.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -63.22 -37.55 87.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.586 HD12 ' CZ ' ' A' ' 167' ' ' PHE . 0.5 OUTLIER -70.82 -45.14 65.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.526 HG12 HD13 ' A' ' 189' ' ' ILE . 13.6 mt -61.68 -41.98 92.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.45 -35.95 82.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.454 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -68.49 -51.78 39.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 0.763 HG13 HD12 ' A' ' 180' ' ' LEU . 47.3 t -58.84 -47.62 88.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -53.06 -39.79 63.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -98.63 30.13 10.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 31.7 p -119.13 165.88 13.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 110.017 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -88.44 79.64 7.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.763 HD12 HG13 ' A' ' 175' ' ' VAL . 18.2 mt -121.92 152.64 59.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.63 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.4 Cg_endo -74.95 164.56 33.17 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 182' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.4 Cg_endo -74.96 79.42 2.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 183' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.4 OUTLIER 161.19 -27.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.018 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.63 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -81.71 -11.77 58.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 185' ' ' ARG . . . . . 0.514 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 90.3 mtm180 -85.02 70.35 10.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.892 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 175.1 -57.05 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 187' ' ' PRO . . . . . 0.892 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.2 Cg_endo -75.0 -28.16 9.4 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.477 1.777 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 184' ' ' ALA . 74.3 t -67.45 -45.03 86.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.62 HG22 ' CZ ' ' A' ' 193' ' ' PHE . 51.9 mt -63.16 -47.84 90.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 190' ' ' ILE . . . . . 0.626 HG23 HG21 ' A' ' 218' ' ' ILE . 26.2 mt -66.84 -36.62 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 191' ' ' ASP . . . . . 0.4 ' C ' ' OD1' ' A' ' 191' ' ' ASP . 16.0 t0 -62.67 -41.1 98.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 192' ' ' CYS . . . . . 0.401 ' HB3' HD11 ' A' ' 171' ' ' LEU . 3.7 m -56.4 -47.23 79.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 108.294 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 193' ' ' PHE . . . . . 0.62 ' CZ ' HG22 ' A' ' 189' ' ' ILE . 10.7 m-30 -53.53 -36.62 61.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 194' ' ' ARG . . . . . 0.574 ' HB3' HG21 ' A' ' 205' ' ' ILE . 0.7 OUTLIER -102.81 16.58 26.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 12.7 tm0? -97.96 -34.46 10.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 196' ' ' LYS . . . . . 1.005 ' HE2' HG21 ' A' ' 157' ' ' THR . 1.8 ttpm? -168.54 73.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 197' ' ' SER . . . . . 0.419 ' HB2' ' NE2' ' A' ' 158' ' ' GLN . 7.2 p -138.88 165.66 26.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -43.87 167.6 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -41.08 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.423 1.749 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -63.86 -43.06 97.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 24.4 mm -67.99 -45.2 84.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 202' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 202' ' ' GLN . 28.2 tp60 -64.38 -48.38 75.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -59.99 -27.92 67.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.833 HD21 ' CB ' ' A' ' 225' ' ' ARG . 0.3 OUTLIER -70.19 -49.05 54.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.574 HG21 ' HB3' ' A' ' 194' ' ' ARG . 0.5 OUTLIER -64.4 -44.67 97.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 206' ' ' ARG . . . . . 0.414 ' HG3' ' NE2' ' A' ' 202' ' ' GLN . 10.6 mtt-85 -64.05 -33.69 76.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -92.65 4.96 52.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 208' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -69.95 159.2 85.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 154.81 42.79 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.5 18.33 8.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 1.5 m -98.56 -14.95 19.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.381 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 212' ' ' LEU . . . . . 0.639 ' O ' HG23 ' A' ' 213' ' ' THR . 0.3 OUTLIER -135.86 141.36 44.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 212' ' ' LEU . 3.8 p -158.42 45.06 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.387 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 214' ' ' THR . . . . . 0.442 ' CA ' HD11 ' A' ' 190' ' ' ILE . 22.3 p -121.06 158.59 52.26 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.442 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 55.37 3.94 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -161.72 -51.95 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -74.67 -33.96 62.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 218' ' ' ILE . . . . . 0.626 HG21 HG23 ' A' ' 190' ' ' ILE . 5.2 mm -64.29 -47.91 87.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 219' ' ' ILE . . . . . 0.836 ' CG2' HG23 ' A' ' 165' ' ' VAL . 4.4 mt -67.89 -46.1 82.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -39.39 79.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.487 ' CZ ' HD23 ' A' ' 204' ' ' LEU . 2.8 t80 -68.33 -46.84 69.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.42 HG13 HD13 ' A' ' 204' ' ' LEU . 9.3 t -60.78 -46.61 95.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.73 HD11 ' CG2' ' A' ' 165' ' ' VAL . 16.0 mt -59.49 -36.33 75.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.21 -45.94 68.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 225' ' ' ARG . . . . . 0.833 ' CB ' HD21 ' A' ' 204' ' ' LEU . 1.7 tpm_? -61.29 -43.92 98.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -51.82 -55.29 20.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.13 161.85 29.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 7.9 mt -121.03 128.86 76.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . -150.96 86.21 4.95 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 111.021 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.411 ' CE2' ' HG2' ' A' ' 117' ' ' PRO . 1.6 m-90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.9 p -103.63 105.56 48.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.1 33.44 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.477 1.778 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.832 ' CD1' HD11 ' A' ' 19' ' ' ILE . 1.2 pt? -60.42 156.77 15.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -81.13 114.17 46.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.312 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -24.13 13.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.524 1.802 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.83 -50.52 68.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.62 -45.38 90.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.832 HD11 ' CD1' ' A' ' 14' ' ' LEU . 71.5 mt -59.81 -37.32 71.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.6 m -57.89 -38.09 75.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.413 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -48.71 75.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.659 HD21 ' HG3' ' A' ' 39' ' ' GLU . 2.8 tt -66.9 -37.54 84.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.559 ' HB2' HG12 ' A' ' 60' ' ' ILE . . . -66.49 -34.23 77.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.748 ' O ' HG23 ' A' ' 28' ' ' THR . 22.2 m-20 -61.87 -38.27 87.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.479 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.5 m -65.98 -37.11 85.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.831 ' CG1' HG23 ' A' ' 36' ' ' THR . 3.4 t -60.49 -49.32 84.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -60.7 -48.82 80.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.748 HG23 ' O ' ' A' ' 24' ' ' ASP . 68.5 p -65.11 -30.17 71.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.407 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.713 ' CB ' HG21 ' A' ' 35' ' ' ILE . 11.1 mmtt -83.22 -14.11 53.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.96 123.68 5.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.736 HD11 ' HE1' ' A' ' 140' ' ' PHE . 0.7 OUTLIER -67.15 -26.66 66.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.749 . . . . 0.0 109.261 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -93.38 2.19 56.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.4 m -85.87 157.47 57.42 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 110.027 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.41 20.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.713 HG21 ' CB ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -63.56 -24.06 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.831 HG23 ' CG1' ' A' ' 26' ' ' VAL . 87.7 m -61.98 -49.88 74.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.394 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 37.1 mmt -64.89 -35.09 80.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.92 -52.59 34.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.659 ' HG3' HD21 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -60.77 -47.85 84.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 36' ' ' THR . 70.6 t -60.52 -49.33 84.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.625 ' HG3' HD22 ' A' ' 137' ' ' LEU . 28.6 mt-10 -58.7 -24.12 60.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -65.43 -54.74 24.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.455 HD11 HD21 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -72.74 -40.77 65.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.572 ' SD ' HD11 ' A' ' 137' ' ' LEU . 25.7 mtt -76.09 -9.71 58.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' GLU . 3.5 m -34.62 -35.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 44' ' ' MET . 45.9 m -100.87 156.24 35.39 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.975 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 149.51 36.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.423 1.749 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.734 HD13 HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -145.27 -175.0 4.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.85 HD21 ' HB2' ' A' ' 121' ' ' ALA . 0.3 OUTLIER -88.17 165.29 29.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.459 ' O ' HG23 ' A' ' 54' ' ' THR . 18.3 Cg_endo -74.99 -27.7 9.81 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.439 1.757 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.439 ' O ' ' OG1' ' A' ' 54' ' ' THR . 1.0 OUTLIER -67.27 -51.34 54.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.636 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 1.4 t70 -64.77 -31.65 72.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 49' ' ' LEU . 3.0 t -54.61 -47.09 72.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 50' ' ' PRO . 72.6 p -67.94 -37.58 81.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.469 ' CG ' ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -63.7 -45.41 90.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.469 ' N ' ' CG ' ' A' ' 55' ' ' ASN . 2.7 tp -69.68 -51.4 34.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.568 ' HG3' ' CZ2' ' A' ' 69' ' ' TRP . 15.2 mmt -57.66 -29.52 64.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 4.3 ttt180 -69.67 -34.19 73.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 t -74.07 -48.07 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.559 HG12 ' HB2' ' A' ' 23' ' ' ALA . 5.6 mt -74.39 -45.49 46.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.803 HD23 ' CE1' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -90.21 131.86 35.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.468 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -57.21 173.83 2.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.504 ' O ' ' CB ' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -75.04 -47.46 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.754 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -60.92 -51.88 76.25 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.754 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.03 2.66 6.4 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 58' ' ' ARG . 4.0 t80 -68.62 -48.63 63.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.94 -33.64 70.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.479 ' HG ' ' HA ' ' A' ' 65' ' ' PRO . 9.1 mt -62.23 -46.41 88.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.716 ' CZ3' ' CE3' ' A' ' 73' ' ' TRP . 65.8 t90 -58.56 -42.08 87.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 108.003 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 11.3 mmt -63.85 -33.85 76.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -71.04 -44.89 64.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.487 ' HB2' ' OE2' ' A' ' 142' ' ' GLU . . . -73.28 -30.73 63.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.716 ' CE3' ' CZ3' ' A' ' 69' ' ' TRP . 15.4 t90 -69.17 -49.35 57.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 107.967 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.77 -48.94 60.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 25.1 t -68.1 -43.48 85.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.411 ' O ' ' HB ' ' A' ' 79' ' ' THR . 54.4 mm-40 -55.13 -46.31 75.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.257 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.803 ' CD2' HD13 ' A' ' 106' ' ' LEU . 2.2 mt -56.86 -50.16 73.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.517 ' HA ' HD13 ' A' ' 103' ' ' LEU . 38.1 mt-30 -59.64 -33.62 71.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.484 ' O ' ' CB ' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -61.97 -35.73 79.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.456 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.532 HG13 ' CE1' ' A' ' 90' ' ' HIS . 3.0 t -71.91 -34.96 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.4 mm -71.18 -50.3 42.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.421 ' O ' HG22 ' A' ' 85' ' ' THR . . . -66.06 -38.55 88.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 79' ' ' THR . . . -62.6 -27.26 69.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.08 -50.52 14.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.421 HG22 ' O ' ' A' ' 82' ' ' ALA . 1.2 t -63.81 -32.08 73.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.369 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.8 ttt85 -74.68 -41.52 60.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.71 117.7 12.12 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 55.07 3.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.46 1.768 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -135.09 14.08 3.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.532 ' CE1' HG13 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -82.46 136.86 45.36 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.573 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.444 ' O ' ' NH1' ' A' ' 125' ' ' ARG . 18.2 Cg_endo -75.01 -21.8 15.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.769 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.52 ' HB1' ' OE1' ' A' ' 128' ' ' GLU . . . -72.92 -15.86 61.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.503 ' OD1' ' CB ' ' A' ' 90' ' ' HIS . 2.8 p-10 -121.08 154.39 36.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 137.69 113.03 1.15 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.127 . . . . 0.0 111.054 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -179.58 36.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 0.791 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 155.51 -153.95 25.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -89.63 0.02 57.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 175.45 47.38 0.06 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.543 1.152 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -56.56 -56.92 15.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 0.763 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 65.7 123.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.1 t -72.74 170.12 15.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -136.28 145.48 45.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.621 HD11 ' HB3' ' A' ' 77' ' ' LEU . 13.7 tp -58.45 -45.85 87.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.523 ' HA ' ' CG ' ' A' ' 107' ' ' LYS . 13.9 t0 -53.8 -37.65 63.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -35.39 60.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.803 HD13 ' CD2' ' A' ' 77' ' ' LEU . 62.6 mt -86.42 -23.91 25.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.523 ' CG ' ' HA ' ' A' ' 104' ' ' ASP . 61.7 mmtt -55.92 -48.82 75.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 100.69 13.33 35.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.656 ' HA ' HG22 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -97.98 0.78 47.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.306 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.88 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.97 147.7 33.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -58.2 130.77 48.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 91.09 -15.16 61.65 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.88 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 35.9 mtp -102.89 -20.89 14.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 0.79 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.656 HG22 ' HA ' ' A' ' 109' ' ' LEU . 2.3 t -77.29 126.29 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 82.31 3.22 90.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -138.05 101.19 8.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.76 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.411 ' HG2' ' CE2' ' A' ' 11' ' ' TRP . 18.2 Cg_endo -75.04 -65.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -43.55 70.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.36 -38.33 96.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.533 ' CG ' HD11 ' A' ' 124' ' ' LEU . 11.0 tt0 -63.9 -44.51 92.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.759 . . . . 0.0 110.306 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.85 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -63.38 -32.07 73.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.96 -24.76 55.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.775 HD23 ' O ' ' A' ' 123' ' ' LEU . 2.8 tt -79.65 -42.22 25.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.667 HD21 ' CE ' ' A' ' 113' ' ' MET . 1.2 mt -75.69 112.57 12.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.444 ' NH1' ' O ' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -38.43 157.67 0.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 108.82 2.8 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 147.18 -33.13 1.36 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.555 ' OE1' HD21 ' A' ' 106' ' ' LEU . 3.6 mm-40 -61.61 -39.63 91.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -39.08 84.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 41.8 t -60.15 -39.75 81.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.8 -39.08 83.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 4.2 mt -67.36 -39.03 81.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.503 ' O ' HD12 ' A' ' 137' ' ' LEU . 25.1 m -67.79 -46.65 71.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.424 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.19 -48.25 80.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 9.4 p -64.04 -35.1 79.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.02 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.06 -42.85 99.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.625 HD22 ' HG3' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -69.71 -42.18 74.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.83 -35.75 77.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.99 -32.51 65.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.803 ' CE1' HD23 ' A' ' 61' ' ' LEU . 1.2 t80 -69.1 -63.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.962 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -25.07 33.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.487 ' OE2' ' HB2' ' A' ' 72' ' ' ALA . 32.0 tt0 -69.49 -42.24 75.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.403 HG21 ' N ' ' A' ' 69' ' ' TRP . 37.8 t -73.19 -20.55 18.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -72.96 -41.59 64.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -75.74 -44.95 39.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.674 ' O ' ' HB2' ' A' ' 147' ' ' ALA . 21.6 tp 57.16 163.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 146' ' ' LEU . . . 163.83 116.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -117.89 110.37 40.18 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 126.82 10.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -104.0 152.01 22.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 155.51 77.01 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.105 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.57 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo -75.02 -47.16 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.802 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' TRP . . . . . 0.767 ' CH2' HD11 ' A' ' 180' ' ' LEU . 30.7 p90 -101.03 -18.73 16.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 108.004 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.74 -32.68 73.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -79.65 -20.17 47.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.61 HG22 ' CE1' ' A' ' 167' ' ' PHE . 10.7 mt -83.58 120.83 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.658 HG22 ' HD3' ' A' ' 196' ' ' LYS . 35.9 p -130.65 130.63 44.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.575 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 34.4 tp60 -71.51 129.84 39.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -116.2 159.64 13.78 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.516 1.135 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -21.13 16.16 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.782 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 53.3 m -83.88 -21.31 32.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -102.35 135.76 43.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.14 132.8 54.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.994 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.869 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.9 OUTLIER -56.03 -51.73 66.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.989 HG23 HG21 ' A' ' 219' ' ' ILE . 0.6 OUTLIER -63.02 -44.22 99.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.417 ' N ' ' CG1' ' A' ' 165' ' ' VAL . 21.5 t0 -56.68 -47.94 78.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.61 ' CE1' HG22 ' A' ' 156' ' ' ILE . 61.2 t80 -67.33 -41.5 85.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.5 -41.84 73.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -61.04 -46.53 90.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 7.0 mmm-85 -58.73 -37.57 76.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.565 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.7 OUTLIER -71.11 -45.69 63.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.5 HG12 HD13 ' A' ' 189' ' ' ILE . 46.8 mt -60.01 -37.06 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.89 -39.11 83.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -67.58 -48.2 67.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 0.563 HG21 HG13 ' A' ' 189' ' ' ILE . 53.9 t -61.72 -47.65 92.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.497 ' OE2' ' CG2' ' A' ' 172' ' ' ILE . 3.9 mt-10 -56.24 -33.92 65.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -99.2 29.92 10.89 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 82.7 p -125.53 166.11 17.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 0.763 . . . . 0.0 110.018 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -94.41 89.38 5.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.767 HD11 ' CH2' ' A' ' 153' ' ' TRP . 12.3 mt -123.92 156.94 64.88 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.651 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.3 Cg_endo -75.01 165.54 31.09 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.523 1.801 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 182' ' ' PRO . . . . . 0.434 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.2 Cg_endo -75.01 77.04 3.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 183' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 1.0 OUTLIER 164.38 -31.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.651 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -79.7 -11.85 59.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 185' ' ' ARG . . . . . 0.567 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 22.0 mtm180 -87.47 67.7 9.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.875 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 172.18 -56.29 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 187' ' ' PRO . . . . . 0.875 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.2 Cg_endo -75.02 -26.91 10.43 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 55.7 t -68.1 -41.94 84.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.563 HG13 HG21 ' A' ' 175' ' ' VAL . 19.3 mt -68.53 -47.67 75.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 190' ' ' ILE . . . . . 0.747 HD11 ' C ' ' A' ' 214' ' ' THR . 81.7 mt -66.61 -37.68 80.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 191' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 187' ' ' PRO . 8.3 t70 -67.79 -40.45 83.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.366 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.41 -42.59 78.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 108.262 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 193' ' ' PHE . . . . . 0.494 ' CZ ' HG22 ' A' ' 189' ' ' ILE . 10.8 m-30 -58.46 -50.43 73.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 194' ' ' ARG . . . . . 0.553 ' O ' ' NE2' ' A' ' 202' ' ' GLN . 23.6 ptt180 -86.26 13.6 7.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 195' ' ' GLN . . . . . 0.409 ' O ' ' NE2' ' A' ' 195' ' ' GLN . 1.1 tm0? -119.81 -4.73 10.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 196' ' ' LYS . . . . . 0.658 ' HD3' HG22 ' A' ' 157' ' ' THR . 0.0 OUTLIER -146.56 -59.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 197' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 193' ' ' PHE . 1.3 p -37.05 153.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.951 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -45.19 170.14 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 110.318 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -33.87 4.32 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.553 1.817 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.68 -50.54 72.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 9.1 mm -69.1 -36.03 71.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 202' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' A' ' 194' ' ' ARG . 12.9 tt0 -66.67 -38.9 87.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -61.76 -37.79 85.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.452 HD23 ' CZ ' ' A' ' 221' ' ' TYR . 0.3 OUTLIER -63.73 -43.75 95.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.475 ' O ' ' HB3' ' A' ' 208' ' ' ALA . 0.6 OUTLIER -67.72 -44.91 85.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -61.57 -33.97 74.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.327 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -89.83 4.24 50.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 208' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -61.3 159.74 28.37 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 209' ' ' PRO . . . . . 0.663 ' HD2' HD11 ' A' ' 212' ' ' LEU . 18.5 Cg_endo -74.95 155.15 43.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.05 18.14 5.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 1.7 m -104.35 -10.11 18.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 212' ' ' LEU . . . . . 0.709 ' O ' HG23 ' A' ' 213' ' ' THR . 0.5 OUTLIER -140.45 140.25 35.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 212' ' ' LEU . 2.0 p -160.13 45.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 214' ' ' THR . . . . . 0.747 ' C ' HD11 ' A' ' 190' ' ' ILE . 18.0 p -123.03 157.99 58.89 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 55.23 3.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -157.53 -58.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -73.88 -30.33 62.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.273 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 218' ' ' ILE . . . . . 0.68 HG12 HD13 ' A' ' 190' ' ' ILE . 1.3 mp -63.96 -44.72 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 219' ' ' ILE . . . . . 0.989 HG21 HG23 ' A' ' 165' ' ' VAL . 3.3 mt -70.93 -50.16 44.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -56.37 -31.3 63.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.452 ' CZ ' HD23 ' A' ' 204' ' ' LEU . 1.0 OUTLIER -71.92 -49.1 40.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.437 HG22 ' HB3' ' A' ' 204' ' ' LEU . 23.7 t -61.02 -50.98 78.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 68.9 mt -59.29 -39.08 81.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -65.64 -37.28 86.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 225' ' ' ARG . . . . . 0.419 ' CG ' HD21 ' A' ' 204' ' ' LEU . 4.0 tpt180 -70.75 -41.22 72.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -52.51 -48.73 65.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 50.42 -179.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 228' ' ' ILE . . . . . 0.464 ' O ' ' HB3' ' A' ' 229' ' ' ALA . 23.3 pt -89.73 -40.37 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 229' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 228' ' ' ILE . . . 69.35 156.11 0.15 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.36 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.2 0 O-C-N 124.457 1.767 . . . . 0.0 110.987 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 19.0 t90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 0.9 OUTLIER -129.23 142.09 44.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.402 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 12' ' ' THR . 18.3 Cg_endo -74.92 132.57 15.68 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.798 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.445 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -62.61 100.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.467 ' O ' ' CG1' ' A' ' 19' ' ' ILE . 0.4 OUTLIER -132.46 139.05 33.56 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 15' ' ' GLU . 18.3 Cg_endo -75.0 -39.46 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.479 1.778 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -68.15 -43.66 77.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.95 -43.66 74.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.568 HG23 ' CD1' ' A' ' 56' ' ' LEU . 31.1 mt -58.82 -37.08 64.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.0 m -64.9 -39.86 94.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.409 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -48.42 68.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.644 HD23 ' CD ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -64.26 -40.67 96.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.563 ' HB1' ' HA ' ' A' ' 60' ' ' ILE . . . -60.91 -37.79 83.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.54 -43.1 99.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.488 HG22 ' OE1' ' A' ' 39' ' ' GLU . 1.3 m -58.74 -36.61 74.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 110.419 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.74 HG13 HG23 ' A' ' 36' ' ' THR . 3.6 t -61.88 -42.2 93.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -67.22 -48.91 66.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.9 p -68.28 -33.99 75.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 33' ' ' SER . 13.3 mmtt -81.1 -14.41 57.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.45 127.18 2.75 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.556 ' CD2' ' CZ ' ' A' ' 140' ' ' PHE . 0.1 OUTLIER -67.83 -33.16 74.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.01 2.63 56.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -95.48 156.13 37.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 0.0 109.983 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.04 99.65 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.522 1.801 . . . . 0.0 111.037 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.495 HG21 ' HB3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER 164.3 -31.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.74 HG23 HG13 ' A' ' 26' ' ' VAL . 18.2 m -62.69 -48.94 77.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.393 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -44.32 93.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.12 -40.6 90.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.644 ' CD ' HD23 ' A' ' 22' ' ' LEU . 1.5 mt-10 -64.37 -48.39 75.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.646 HG21 ' CE2' ' A' ' 140' ' ' PHE . 97.5 t -62.86 -41.38 92.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 45' ' ' SER . 0.7 OUTLIER -69.93 -24.73 63.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -61.66 -54.95 35.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.824 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -71.06 -37.98 72.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.57 ' SD ' HD12 ' A' ' 137' ' ' LEU . 9.7 mtt -74.2 -10.96 60.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' GLU . 35.3 t -36.33 -33.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.949 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -109.04 166.6 10.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.23 37.79 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.464 1.771 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.42 ' CD1' ' OG1' ' A' ' 133' ' ' THR . 0.3 OUTLIER -153.95 163.16 40.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.649 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.3 mt -67.65 163.72 45.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.545 ' O ' HG23 ' A' ' 54' ' ' THR . 18.4 Cg_endo -74.98 -30.15 7.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.427 ' O ' ' OG1' ' A' ' 54' ' ' THR . 0.3 OUTLIER -67.52 -41.89 83.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.563 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 0.5 OUTLIER -63.96 -32.01 73.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 49' ' ' LEU . 61.5 t -60.23 -44.13 94.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.407 1.067 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 50' ' ' PRO . 28.6 p -66.78 -45.73 77.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.459 ' CG ' ' N ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -63.65 -42.56 98.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.824 HD21 ' CD1' ' A' ' 43' ' ' LEU . 8.3 tp -65.84 -52.22 52.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.529 ' SD ' HD21 ' A' ' 61' ' ' LEU . 10.8 mmt -57.69 -41.32 81.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.485 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 5.8 ttt85 -55.87 -35.47 66.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.483 HG12 ' CB ' ' A' ' 23' ' ' ALA . 48.4 t -74.02 -34.19 38.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.563 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 64.2 mt -77.59 -44.14 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.675 HD22 ' CE1' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -121.11 137.56 54.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.512 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -62.6 -166.44 0.6 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.466 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.92 -25.74 11.75 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.541 1.811 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.908 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -68.76 -57.41 8.1 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.908 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.97 2.38 6.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.485 ' CE1' ' HB2' ' A' ' 58' ' ' ARG . 0.8 OUTLIER -73.55 -51.7 16.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.94 -28.95 69.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.479 ' C ' HG21 ' A' ' 143' ' ' VAL . 5.1 mp -67.07 -48.54 67.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.656 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 25.2 t90 -71.18 -41.27 70.55 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -46.37 89.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -62.58 -46.95 85.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.52 -35.28 79.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.656 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 11.2 t90 -56.6 -42.84 79.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 107.965 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.405 ' O ' ' NE2' ' A' ' 78' ' ' GLN . . . -61.85 -40.11 98.4 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.128 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.0 t -68.28 -47.86 76.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.756 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.406 ' O ' ' HB ' ' A' ' 79' ' ' THR . 63.5 mm-40 -59.87 -45.58 92.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.599 ' HB3' HD11 ' A' ' 103' ' ' LEU . 2.6 mt -60.94 -45.02 96.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.452 ' HA ' HD13 ' A' ' 103' ' ' LEU . 38.9 mt-30 -59.95 -36.61 77.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 76' ' ' GLN . 0.9 OUTLIER -58.72 -40.61 84.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.398 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 t -66.47 -37.41 79.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.475 HD12 HG23 ' A' ' 101' ' ' THR . 10.9 mm -69.44 -38.99 78.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.0 -36.99 75.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.28 -49.38 72.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.13 -47.33 77.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.2 m -58.5 -39.3 79.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -75.21 -42.83 54.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.19 114.78 20.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.91 3.78 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.478 1.778 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.59 4.82 5.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.434 ' O ' ' CG ' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -82.19 134.14 49.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.59 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -20.25 17.07 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.536 1.808 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.453 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -59.97 -15.97 26.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.48 ' O ' ' OD1' ' A' ' 93' ' ' ASN . 45.1 p30 -90.68 155.62 18.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.68 -74.27 0.33 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.126 . . . . 0.0 111.052 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -125.13 -45.73 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -176.41 -130.63 1.37 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -76.99 -0.23 23.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 0.798 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.98 -43.33 7.2 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.39 -51.09 3.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 0.812 . . . . 0.0 110.239 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.6 ttm-85 61.33 141.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.475 HG23 HD12 ' A' ' 81' ' ' ILE . 4.0 t -70.84 166.49 20.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -143.89 131.57 21.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.599 HD11 ' HB3' ' A' ' 77' ' ' LEU . 4.4 tp -55.6 -39.86 71.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -60.31 -45.25 94.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -57.65 -46.66 83.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.659 HD22 ' CG1' ' A' ' 132' ' ' ILE . 10.2 mt -67.71 -20.85 65.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.94 -43.5 92.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 105.1 1.63 41.75 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.596 ' HA ' HG22 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -83.94 6.4 21.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.797 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.5 144.85 41.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -60.76 126.78 28.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 89.26 -9.3 77.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.797 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 30.1 mtp -102.78 -17.75 15.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.596 HG22 ' HA ' ' A' ' 109' ' ' LEU . 2.1 t -85.21 121.89 37.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.06 2.34 68.97 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -138.74 104.24 7.57 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.459 0.74 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.48 ' CB ' ' CD1' ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.0 -69.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.527 1.804 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -53.74 -41.98 67.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.64 -40.99 99.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.469 1.106 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.797 ' HG2' HD21 ' A' ' 124' ' ' LEU . 0.6 OUTLIER -60.45 -45.14 94.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 0.737 . . . . 0.0 110.328 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -60.14 -31.34 69.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.12 -16.0 58.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.544 HD13 ' HG3' ' A' ' 113' ' ' MET . 0.6 OUTLIER -86.07 -17.08 36.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.797 HD21 ' HG2' ' A' ' 120' ' ' GLN . 0.1 OUTLIER -128.85 121.43 28.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.415 ' N ' ' HD2' ' A' ' 125' ' ' ARG . 0.2 OUTLIER -43.35 160.09 0.22 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 109.12 2.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 160.97 -44.6 0.4 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.453 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 7.5 mt-10 -57.07 -32.51 66.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 0.778 . . . . 0.0 110.261 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.709 ' HA ' HD12 ' A' ' 132' ' ' ILE . 0.3 OUTLIER -62.54 -41.69 99.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 56.9 t -59.53 -39.77 80.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.57 90.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.709 HD12 ' HA ' ' A' ' 129' ' ' LEU . 14.2 mt -69.07 -38.61 78.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.53 HG23 ' SD ' ' A' ' 44' ' ' MET . 58.6 m -68.37 -40.3 81.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.394 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.76 -42.51 77.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.5 p -68.97 -34.61 75.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.034 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.7 -43.3 97.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.601 ' CD1' HG12 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -70.02 -33.04 71.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -73.0 -29.51 63.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -78.75 -33.79 46.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.675 ' CE1' HD22 ' A' ' 61' ' ' LEU . 5.7 t80 -74.4 -40.7 61.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -70.73 -24.88 62.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -73.59 -41.57 62.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.479 HG21 ' C ' ' A' ' 68' ' ' LEU . 7.8 t -68.66 -43.35 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -72.9 -21.5 60.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 147' ' ' ALA . 1.6 mtp180 -67.78 -41.97 82.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -41.12 98.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 145' ' ' ARG . . . -174.3 155.77 2.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -117.91 126.82 27.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 139.26 23.97 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.783 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -104.02 151.95 22.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.611 ' HA3' ' HB3' ' A' ' 154' ' ' ALA . . . -87.69 147.28 20.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.534 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo -74.94 -47.52 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 111.059 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' TRP . . . . . 0.572 ' CH2' HD11 ' A' ' 180' ' ' LEU . 30.0 p90 -101.67 -30.65 11.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 108.027 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.611 ' HB3' ' HA3' ' A' ' 151' ' ' GLY . . . -54.08 -32.0 53.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -79.13 -22.14 45.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.108 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.599 HD11 ' HB2' ' A' ' 174' ' ' ALA . 15.5 mt -79.65 120.5 31.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.535 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 63.9 m -129.26 126.35 38.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.659 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 14.7 tm0? -66.51 129.62 40.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.439 ' O ' ' NE2' ' A' ' 158' ' ' GLN . . . -123.23 164.83 16.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -23.62 13.67 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.81 -31.01 61.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.414 ' HG3' ' NH2' ' A' ' 170' ' ' ARG . 46.5 mm-40 -99.77 135.66 40.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.458 ' HB2' ' CB ' ' A' ' 166' ' ' ASP . 2.7 m -57.39 156.12 8.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.722 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.8 OUTLIER -69.09 -51.83 34.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.938 HG23 HG21 ' A' ' 219' ' ' ILE . 1.1 p -66.23 -43.91 91.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.458 ' CB ' ' HB2' ' A' ' 163' ' ' SER . 39.5 t0 -56.3 -45.83 80.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.659 ' CZ ' ' N ' ' A' ' 158' ' ' GLN . 77.9 t80 -67.69 -43.46 80.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.583 ' O ' HD12 ' A' ' 172' ' ' ILE . . . -55.51 -34.2 64.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -66.3 -50.17 64.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 109.304 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.414 ' NH2' ' HG3' ' A' ' 162' ' ' GLU . 10.9 mtm105 -59.79 -38.13 81.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.489 HD12 ' CE2' ' A' ' 167' ' ' PHE . 3.3 tt -69.24 -49.45 56.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 168' ' ' ALA . 16.5 mt -57.68 -40.46 75.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -63.25 -36.93 85.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.599 ' HB2' HD11 ' A' ' 156' ' ' ILE . . . -68.33 -52.95 27.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 0.602 HG13 HD12 ' A' ' 180' ' ' LEU . 42.5 t -57.12 -45.61 84.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.435 ' OE1' HG22 ' A' ' 172' ' ' ILE . 41.5 mt-10 -58.53 -43.0 89.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -88.9 22.3 22.74 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.125 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 49.2 p -118.6 165.87 13.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 109.958 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.46 90.31 5.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.602 HD12 HG13 ' A' ' 175' ' ' VAL . 10.0 mt -119.16 162.77 30.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 172.43 16.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.791 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 136.75 20.82 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.789 . . . . 0.0 111.018 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.04 7.35 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -99.7 -15.48 18.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 185' ' ' ARG . . . . . 0.591 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 6.6 mtp180 -88.78 79.61 7.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.849 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 170.47 -55.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 187' ' ' PRO . . . . . 0.849 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -75.03 -27.64 9.79 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 29.1 t -70.88 -40.47 76.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.55 HG13 HG21 ' A' ' 175' ' ' VAL . 19.1 mt -67.94 -48.27 75.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 190' ' ' ILE . . . . . 0.756 HD11 ' C ' ' A' ' 214' ' ' THR . 94.3 mt -64.62 -35.47 74.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.73 -43.43 90.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 192' ' ' CYS . . . . . 0.445 ' CB ' HD11 ' A' ' 171' ' ' LEU . 26.0 m -56.91 -49.47 75.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 108.29 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 193' ' ' PHE . . . . . 0.503 ' CZ ' ' CB ' ' A' ' 168' ' ' ALA . 13.3 m-30 -53.15 -40.75 64.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 194' ' ' ARG . . . . . 0.574 ' HB3' HG21 ' A' ' 205' ' ' ILE . 0.1 OUTLIER -96.25 15.67 20.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -94.51 -46.03 7.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.277 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 196' ' ' LYS . . . . . 0.529 ' O ' ' NE2' ' A' ' 202' ' ' GLN . 16.3 mtpt -141.17 -92.46 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 197' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 196' ' ' LYS . 0.7 OUTLIER 36.78 -156.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.021 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -80.48 158.79 70.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -38.82 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.464 1.771 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -65.62 -32.38 73.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.407 ' HA ' HD13 ' A' ' 201' ' ' ILE . 16.6 mm -73.1 -45.27 54.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 202' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' A' ' 196' ' ' LYS . 27.4 mt-30 -62.13 -38.6 89.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 203' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 203' ' ' GLN . 31.5 tp60 -63.06 -34.84 78.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.801 HD21 ' CG ' ' A' ' 225' ' ' ARG . 0.3 OUTLIER -70.37 -49.55 48.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.574 HG21 ' HB3' ' A' ' 194' ' ' ARG . 1.0 OUTLIER -62.45 -38.12 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -34.0 77.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -89.48 2.25 54.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.253 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 208' ' ' ALA . . . . . 0.513 ' HA ' ' CE2' ' A' ' 221' ' ' TYR . . . -62.37 158.19 49.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 209' ' ' PRO . . . . . 0.528 ' HB2' HG22 ' A' ' 211' ' ' THR . 18.3 Cg_endo -75.01 152.82 41.18 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.537 1.809 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.55 24.63 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.04 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 211' ' ' THR . . . . . 0.528 HG22 ' HB2' ' A' ' 209' ' ' PRO . 14.9 t -109.33 -1.77 18.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.417 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 212' ' ' LEU . . . . . 0.736 ' O ' HG23 ' A' ' 213' ' ' THR . 0.5 OUTLIER -148.67 145.16 27.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.736 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.7 p -160.95 50.54 0.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.436 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 214' ' ' THR . . . . . 0.756 ' C ' HD11 ' A' ' 190' ' ' ILE . 69.6 p -123.61 158.88 57.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.424 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 54.35 3.62 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -158.98 -54.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.142 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -74.05 -34.74 64.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 218' ' ' ILE . . . . . 0.717 HG12 HD13 ' A' ' 190' ' ' ILE . 0.7 OUTLIER -64.3 -41.54 92.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 219' ' ' ILE . . . . . 0.938 HG21 HG23 ' A' ' 165' ' ' VAL . 5.3 mt -74.67 -50.26 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -33.49 64.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.513 ' CE2' ' HA ' ' A' ' 208' ' ' ALA . 10.4 t80 -71.87 -49.4 38.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.487 HG22 ' HB3' ' A' ' 204' ' ' LEU . 12.8 t -60.29 -43.99 94.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 19.5 mt -63.68 -41.21 98.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.22 -35.48 80.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 225' ' ' ARG . . . . . 0.801 ' CG ' HD21 ' A' ' 204' ' ' LEU . 1.5 tpm_? -74.97 -38.82 61.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -52.34 -49.67 63.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.95 108.56 13.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 1.1 pp -94.05 -23.93 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . 59.31 158.29 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.468 1.773 . . . . 0.0 110.962 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.423 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 10.8 t -130.02 142.41 45.28 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 12' ' ' THR . 18.4 Cg_endo -74.99 125.52 9.38 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.793 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.03 HD11 HD11 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -62.0 140.46 58.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.516 ' CB ' HD12 ' A' ' 18' ' ' LEU . 3.4 tp10 -109.28 133.05 20.91 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -44.81 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -36.95 72.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.516 HD12 ' CB ' ' A' ' 15' ' ' GLU . 86.4 mt -70.19 -38.77 75.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.03 HD11 HD11 ' A' ' 14' ' ' LEU . 11.0 mt -69.74 -36.98 72.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.1 m -61.72 -50.06 73.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.406 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -64.45 -37.89 89.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.669 HD13 HD22 ' A' ' 43' ' ' LEU . 1.4 mt -66.39 -43.74 85.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.469 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -65.18 -32.2 73.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.806 ' O ' HG23 ' A' ' 28' ' ' THR . 0.2 OUTLIER -62.05 -46.04 90.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.497 HG22 ' CD ' ' A' ' 39' ' ' GLU . 1.3 m -59.55 -39.35 83.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.451 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.677 HG22 ' HA ' ' A' ' 36' ' ' THR . 2.7 t -59.33 -40.51 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -48.51 68.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.243 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.806 HG23 ' O ' ' A' ' 24' ' ' ASP . 22.0 p -67.48 -30.46 70.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.356 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.575 ' CG ' HG21 ' A' ' 35' ' ' ILE . 17.5 mmtt -84.75 -13.33 51.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.16 126.01 5.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.696 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -66.88 -31.22 71.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.76 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.59 2.13 55.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.78 164.63 38.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.977 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 37' ' ' MET . 18.3 Cg_endo -74.95 -45.09 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.575 HG21 ' CG ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -41.44 -29.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.15 . . . . 0.0 109.337 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.677 ' HA ' HG22 ' A' ' 26' ' ' VAL . 19.4 m -60.39 -48.99 79.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.473 ' HE1' ' CD1' ' A' ' 140' ' ' PHE . 0.0 OUTLIER -63.22 -39.72 95.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.939 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.99 84.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.522 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 1.4 mt-10 -63.27 -47.04 84.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.449 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 34.5 t -61.74 -47.55 92.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 45' ' ' SER . 4.3 mt-10 -62.75 -24.55 67.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -65.17 -55.56 17.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.669 HD22 HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -72.26 -42.12 65.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.499 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 29.8 mtt -74.07 -10.12 59.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 44' ' ' MET . 6.1 m -34.41 -35.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.4 OUTLIER -109.12 165.85 11.89 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.058 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 147.08 33.35 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.531 1.806 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.656 ' H ' HD12 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -140.57 -173.73 3.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.623 HD21 ' HB2' ' A' ' 121' ' ' ALA . 0.2 OUTLIER -86.65 165.14 34.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -34.03 4.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.422 1.749 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.437 ' O ' ' OG1' ' A' ' 54' ' ' THR . 1.5 t-160 -67.62 -43.88 79.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.551 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.638 ' OD2' HD22 ' A' ' 14' ' ' LEU . 1.2 t0 -64.23 -32.47 74.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.64 HG23 HD13 ' A' ' 48' ' ' LEU . 2.1 t -59.39 -47.84 89.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.465 ' C ' ' HH ' ' A' ' 66' ' ' TYR . 19.1 p -67.43 -42.55 82.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.378 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -60.96 -42.62 98.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.654 HD21 ' CD1' ' A' ' 43' ' ' LEU . 15.4 tp -69.36 -50.1 49.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.835 ' O ' HD12 ' A' ' 61' ' ' LEU . 19.1 mmt -57.63 -30.91 65.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 35.6 ttt85 -69.53 -37.17 77.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.452 HG12 ' CB ' ' A' ' 23' ' ' ALA . 34.4 t -69.5 -47.34 72.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.469 HG12 ' CB ' ' A' ' 23' ' ' ALA . 97.6 mt -71.58 -43.17 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.835 HD12 ' O ' ' A' ' 57' ' ' MET . 0.2 OUTLIER -114.81 124.45 51.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.487 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -55.67 -173.1 0.13 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.457 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.4 Cg_endo -74.97 -19.46 17.89 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 111.04 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.958 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.46 -59.06 3.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.958 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.6 Cg_endo -74.96 4.76 4.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 58' ' ' ARG . 1.3 t80 -77.67 -48.88 15.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.89 -33.75 72.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.649 HD23 HD22 ' A' ' 146' ' ' LEU . 6.4 mp -69.28 -44.36 72.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.565 ' CZ2' ' HG3' ' A' ' 57' ' ' MET . 25.6 t90 -70.53 -35.46 73.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 107.991 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.0 mmt -64.36 -41.6 96.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -70.7 -42.28 70.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.99 -38.78 83.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.454 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 14.7 t90 -62.94 -41.52 99.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 107.994 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.25 -45.16 94.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.1 t -68.1 -47.09 80.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -56.21 -45.54 79.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.601 ' CD2' HD13 ' A' ' 106' ' ' LEU . 3.2 mt -60.62 -46.61 89.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -63.01 -30.62 71.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -66.84 -37.17 83.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.85 -47.05 89.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.938 HG13 HG23 ' A' ' 101' ' ' THR . 1.5 mp -66.27 -45.38 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.11 -36.77 80.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.505 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . . . -64.71 -49.45 70.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.504 ' HB2' ' CB ' ' A' ' 90' ' ' HIS . . . -63.26 -34.97 78.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.2 m -68.22 -40.56 82.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.7 mtt85 -72.26 -43.41 64.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.33 122.27 13.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.66 3.69 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -120.6 -5.6 9.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.505 ' CD2' ' HB3' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -73.03 130.73 84.53 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.612 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -74.99 -21.43 15.88 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.797 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.445 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -66.66 -10.46 46.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.455 ' O ' ' OD1' ' A' ' 93' ' ' ASN . 30.4 p-10 -88.76 155.38 19.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.98 -141.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -175.89 42.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -123.85 -123.65 2.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.442 ' NE ' ' O ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -90.65 -1.26 57.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.771 . . . . 0.0 110.275 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -125.65 -47.07 0.22 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 39.49 42.44 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 0.782 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -129.19 126.04 38.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.938 HG23 HG13 ' A' ' 81' ' ' ILE . 4.3 t -75.14 169.52 17.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.389 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -150.48 144.54 25.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.598 HD12 HD13 ' A' ' 81' ' ' ILE . 1.9 tp -59.98 -40.82 90.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.87 -45.17 95.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -41.2 97.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.601 HD13 ' CD2' ' A' ' 77' ' ' LEU . 7.2 mt -72.24 -19.48 61.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.34 -51.33 11.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.577 ' HA2' ' HE2' ' A' ' 113' ' ' MET . . . 110.69 27.56 4.31 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.595 ' HA ' HG22 ' A' ' 114' ' ' VAL . 2.7 tp -107.04 5.69 28.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.951 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -64.73 151.34 45.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.23 128.34 36.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.55 -16.64 60.84 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.56 1.163 . . . . 0.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.951 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 32.9 mtp -102.54 -23.74 13.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.595 HG22 ' HA ' ' A' ' 109' ' ' LEU . 2.6 t -72.1 122.23 24.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.79 2.51 75.32 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.438 1.086 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.464 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 18.5 m-20 -138.51 104.07 7.76 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -68.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -49.14 69.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.91 -35.76 84.54 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 0.0 OUTLIER -65.64 -44.15 87.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.623 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -65.51 -32.15 73.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.23 -15.97 59.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 123' ' ' LEU . 0.2 OUTLIER -86.54 -28.23 23.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.626 HD21 ' CE ' ' A' ' 113' ' ' MET . 1.1 mt -92.36 120.92 33.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.98 156.98 0.42 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 108.9 2.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.439 1.757 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 152.02 -43.31 0.67 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.445 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 24.8 mt-10 -56.76 -34.35 67.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 110.332 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.7 mt -58.76 -44.11 90.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 8.7 t -59.64 -39.83 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -56.53 -37.25 70.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.464 ' CG1' HD22 ' A' ' 106' ' ' LEU . 45.0 mt -69.22 -42.0 81.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.432 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 4.1 m -62.75 -48.55 78.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.419 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.47 88.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -36.61 79.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.989 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.05 -43.28 92.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.499 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.3 OUTLIER -69.7 -33.73 72.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -69.15 -41.52 77.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.66 -33.16 73.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.473 ' CD1' ' HE1' ' A' ' 37' ' ' MET . 5.8 t80 -61.26 -65.42 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -52.96 -25.1 10.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.59 -34.09 75.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.604 HG22 ' HB3' ' A' ' 68' ' ' LEU . 4.1 t -77.99 -33.04 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -72.84 -45.99 55.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -32.82 66.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.649 HD22 HD23 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -40.44 -65.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 146' ' ' LEU . . . 179.06 160.25 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.65 156.39 46.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 59.15 5.1 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -103.96 151.99 22.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.421 ' H ' ' HB3' ' A' ' 154' ' ' ALA . . . -134.04 -179.19 16.18 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.57 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.5 Cg_endo -75.02 -46.57 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' TRP . . . . . 0.691 ' CH2' HD11 ' A' ' 180' ' ' LEU . 38.3 p90 -92.83 -20.79 20.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 108.012 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.421 ' HB3' ' H ' ' A' ' 151' ' ' GLY . . . -61.27 -32.61 72.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 109.247 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.66 -14.43 58.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.787 HG22 ' CE1' ' A' ' 167' ' ' PHE . 4.0 mt -92.84 120.72 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.604 ' C ' ' CZ ' ' A' ' 167' ' ' PHE . 2.7 m -129.44 137.63 50.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.363 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.513 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 1.1 tm0? -77.73 127.14 31.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -122.38 160.35 16.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.428 ' HB3' ' OE1' ' A' ' 198' ' ' GLN . 18.1 Cg_endo -75.05 -19.84 17.34 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 56.5 p -79.48 -16.66 55.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.06 136.67 52.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.432 ' CB ' ' HB2' ' A' ' 166' ' ' ASP . 0.3 OUTLIER -56.22 133.1 52.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.021 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.521 ' CE2' HG23 ' A' ' 219' ' ' ILE . 1.5 t80 -56.54 -52.59 64.19 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.867 HG23 HG21 ' A' ' 219' ' ' ILE . 0.5 OUTLIER -62.66 -37.53 79.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.432 ' HB2' ' CB ' ' A' ' 163' ' ' SER . 35.5 m-20 -62.92 -48.18 80.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.957 ' CE2' HD12 ' A' ' 171' ' ' LEU . 87.6 t80 -67.15 -37.71 84.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -57.83 -36.87 72.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -67.06 -47.28 71.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 32.3 mtp85 -61.74 -37.6 84.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.957 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.5 OUTLIER -70.22 -50.4 40.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.51 HG12 HD13 ' A' ' 189' ' ' ILE . 37.6 mt -57.93 -38.67 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.86 -36.61 83.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.474 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -68.84 -51.03 44.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 0.71 HG21 HG13 ' A' ' 189' ' ' ILE . 52.6 t -59.22 -48.03 88.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.98 -35.17 61.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -102.02 26.41 24.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 25.8 p -116.39 166.07 12.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.765 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -88.72 80.52 7.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.691 HD11 ' CH2' ' A' ' 153' ' ' TRP . 17.5 mt -123.6 154.08 66.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.625 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.2 Cg_endo -75.03 162.24 37.37 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 64.94 6.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.445 1.761 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 4.2 t -179.18 -37.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.625 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -80.97 -11.61 59.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 185' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 81.0 mtm180 -84.29 70.3 10.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.929 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 174.59 -57.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 187' ' ' PRO . . . . . 0.929 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.1 Cg_endo -74.97 -26.9 10.54 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.506 1.793 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 20.7 t -66.39 -38.44 81.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.71 HG13 HG21 ' A' ' 175' ' ' VAL . 16.2 mt -68.21 -48.06 75.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 190' ' ' ILE . . . . . 0.706 HD11 ' C ' ' A' ' 214' ' ' THR . 53.3 mt -66.35 -35.86 75.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.93 -36.27 78.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 192' ' ' CYS . . . . . 0.406 ' HA ' ' HB2' ' A' ' 195' ' ' GLN . 34.9 m -62.83 -48.37 79.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 108.281 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 193' ' ' PHE . . . . . . . . . . . . . 9.0 m-30 -53.7 -50.72 65.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 194' ' ' ARG . . . . . 0.616 ' HB3' HG21 ' A' ' 205' ' ' ILE . 8.5 ptm180 -76.86 1.04 18.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 195' ' ' GLN . . . . . 0.406 ' HB2' ' HA ' ' A' ' 192' ' ' CYS . 1.1 tp60 -81.75 -40.92 21.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.254 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.55 78.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 197' ' ' SER . . . . . 0.606 ' O ' ' O ' ' A' ' 198' ' ' GLN . 25.4 p -145.15 92.16 2.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 110.043 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 198' ' ' GLN . . . . . 0.606 ' O ' ' O ' ' A' ' 197' ' ' SER . 0.5 OUTLIER 51.25 156.0 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -44.31 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.473 1.775 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -45.64 76.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.523 ' O ' HD12 ' A' ' 205' ' ' ILE . 12.7 mm -59.71 -29.84 43.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.79 -49.19 32.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 203' ' ' GLN . . . . . 0.492 ' O ' ' CB ' ' A' ' 207' ' ' ALA . 1.1 mt-30 -66.37 -27.66 68.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.711 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.4 OUTLIER -68.42 -49.26 61.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.616 HG21 ' HB3' ' A' ' 194' ' ' ARG . 1.2 mt -68.8 -48.78 69.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 206' ' ' ARG . . . . . 0.485 ' CD ' ' HA ' ' A' ' 203' ' ' GLN . 2.2 ptm180 -59.47 -33.44 71.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 207' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 203' ' ' GLN . . . -89.42 3.75 51.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 208' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -64.51 158.26 67.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 209' ' ' PRO . . . . . 0.652 ' HB2' HG22 ' A' ' 211' ' ' THR . 18.4 Cg_endo -75.0 153.71 41.98 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.512 1.796 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.19 14.15 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 211' ' ' THR . . . . . 0.652 HG22 ' HB2' ' A' ' 209' ' ' PRO . 12.4 t -96.27 -5.9 39.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 212' ' ' LEU . . . . . 0.736 ' O ' HG23 ' A' ' 213' ' ' THR . 0.4 OUTLIER -148.54 145.4 27.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.736 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.7 p -161.12 46.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 214' ' ' THR . . . . . 0.706 ' C ' HD11 ' A' ' 190' ' ' ILE . 56.0 p -120.45 158.3 51.61 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.46 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 54.65 3.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -160.87 -50.12 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -74.37 -36.73 63.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.757 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 218' ' ' ILE . . . . . 0.618 HG12 HD13 ' A' ' 190' ' ' ILE . 1.1 mp -63.7 -51.47 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 219' ' ' ILE . . . . . 0.867 HG21 HG23 ' A' ' 165' ' ' VAL . 3.5 mt -63.7 -45.87 96.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.69 -34.94 73.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.443 ' CE2' ' HA ' ' A' ' 208' ' ' ALA . 0.3 OUTLIER -74.02 -48.5 29.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.613 HG13 HD13 ' A' ' 204' ' ' LEU . 5.4 t -59.99 -45.56 95.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.514 HD11 ' CG2' ' A' ' 165' ' ' VAL . 33.1 mt -62.99 -35.77 81.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -67.97 -35.55 78.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 225' ' ' ARG . . . . . 0.711 ' HB3' HD11 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -74.62 -44.67 49.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.275 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -54.18 -36.61 63.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.8 137.6 36.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 7.4 tt -107.82 160.26 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . -141.05 160.67 57.16 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.518 1.799 . . . . 0.0 110.965 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.3 m -132.64 105.54 13.0 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 145.28 31.34 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.543 1.812 . . . . 0.0 111.026 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.474 ' CD2' HD11 ' A' ' 19' ' ' ILE . 7.5 tt -75.3 109.02 8.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.537 ' CG ' HD12 ' A' ' 18' ' ' LEU . 1.7 pt-20 -134.32 161.75 61.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -37.83 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -58.43 -49.74 76.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.537 HD12 ' CG ' ' A' ' 15' ' ' GLU . 97.0 mt -69.92 -45.48 67.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.93 ' CD1' HD12 ' A' ' 56' ' ' LEU . 39.4 mt -58.18 -36.64 58.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.2 m -66.79 -41.7 87.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 110.333 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 mtp85 -67.5 -48.95 65.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -44.57 89.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.422 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -61.76 -31.6 71.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.897 ' O ' HG23 ' A' ' 28' ' ' THR . 4.9 t70 -61.52 -42.78 99.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.409 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -63.04 -37.59 87.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.378 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.812 HG22 ' HA ' ' A' ' 36' ' ' THR . 1.7 t -56.49 -49.35 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -48.41 81.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.897 HG23 ' O ' ' A' ' 24' ' ' ASP . 50.3 p -60.47 -34.76 74.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.383 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.556 ' CG ' HG21 ' A' ' 35' ' ' ILE . 16.5 mmtt -82.39 -14.5 55.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.1 130.02 6.9 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.415 HD13 HG21 ' A' ' 36' ' ' THR . 0.2 OUTLIER -67.24 -29.47 69.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.411 ' CG ' ' O ' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -90.59 2.52 55.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.62 164.09 41.49 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.004 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' MET . 18.2 Cg_endo -75.03 -45.97 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.556 HG21 ' CG ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -41.04 -29.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.812 ' HA ' HG22 ' A' ' 26' ' ' VAL . 39.4 m -61.41 -49.45 76.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.374 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -64.26 -42.01 96.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.46 -51.7 66.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -59.86 -47.22 86.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.475 HG21 ' CE2' ' A' ' 140' ' ' PHE . 6.4 t -59.63 -39.66 80.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 45' ' ' SER . 0.6 OUTLIER -71.25 -24.62 62.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -61.7 -54.46 42.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.998 HD13 HD11 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -71.21 -48.02 53.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.49 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 18.2 mtt -67.96 -10.7 55.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' GLU . 78.7 p -37.65 -31.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.014 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.5 OUTLIER -110.74 165.02 13.48 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.0 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 149.94 37.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.532 1.806 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.835 HD13 HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -150.85 173.96 13.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.9 OUTLIER -78.87 165.09 51.66 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -30.4 7.25 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.451 ' O ' ' OG1' ' A' ' 54' ' ' THR . 27.9 t60 -65.93 -47.89 73.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.576 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -64.81 -31.16 72.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.835 HG23 HD13 ' A' ' 48' ' ' LEU . 3.5 t -59.51 -47.66 90.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.531 HG22 ' CE ' ' A' ' 70' ' ' MET . 4.6 p -66.4 -41.49 89.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.401 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.537 ' O ' HG23 ' A' ' 59' ' ' VAL . 11.0 t-20 -68.02 -35.08 77.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.998 HD11 HD13 ' A' ' 43' ' ' LEU . 1.1 tt -70.37 -53.55 16.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.639 ' HG3' HD21 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -61.17 -41.53 96.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 111.004 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 61' ' ' LEU . 1.9 ttt180 -55.57 -36.93 67.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.579 HG11 HG22 ' A' ' 19' ' ' ILE . 39.9 t -69.41 -34.23 61.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.622 ' HB ' HD23 ' A' ' 61' ' ' LEU . 7.2 mt -77.57 -43.89 29.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.641 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -119.79 126.94 52.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.469 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -53.28 -170.1 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.4 ' O ' ' HB3' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.04 -19.07 18.12 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.517 1.799 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.946 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -70.17 -59.68 4.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.097 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.946 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.99 1.81 7.32 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.509 1.794 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.57 ' CE1' ' SD ' ' A' ' 70' ' ' MET . 39.0 t80 -71.72 -47.65 52.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.78 75.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.727 ' HB3' HG22 ' A' ' 143' ' ' VAL . 6.2 mp -65.68 -45.03 84.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.551 ' CZ2' ' SD ' ' A' ' 57' ' ' MET . 71.0 t90 -69.33 -36.79 77.3 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.57 ' SD ' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -64.44 -44.75 90.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -65.54 -42.46 91.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' A' ' 139' ' ' ALA . . . -69.57 -36.64 76.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.519 ' CZ3' ' CG2' ' A' ' 54' ' ' THR . 14.7 t90 -66.65 -37.33 84.58 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.406 ' O ' ' NE2' ' A' ' 78' ' ' GLN . . . -60.97 -42.4 99.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.03 -47.17 79.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.786 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.455 ' OE1' ' CB ' ' A' ' 138' ' ' GLN . 45.0 mm-40 -57.94 -43.8 86.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.745 ' CD2' HD13 ' A' ' 106' ' ' LEU . 1.3 mt -64.2 -45.43 88.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.409 ' HA ' HD13 ' A' ' 103' ' ' LEU . 39.0 mt-30 -61.22 -31.71 71.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 76' ' ' GLN . 1.3 m -63.64 -38.47 91.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.386 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.75 -34.82 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.497 ' CG1' HD12 ' A' ' 103' ' ' LEU . 29.5 mm -71.81 -50.12 40.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.91 -47.08 86.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.56 -48.38 77.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.412 ' HB3' HG21 ' A' ' 101' ' ' THR . . . -61.45 -47.85 83.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 m -58.88 -31.2 68.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -74.96 -43.12 55.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -121.26 114.6 31.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 54.38 3.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -142.53 14.66 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.447 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -85.08 140.31 36.97 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.626 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -21.39 15.85 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.473 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -63.47 -22.19 66.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.481 ' CA ' ' HB ' ' A' ' 101' ' ' THR . 15.5 p30 -98.6 154.12 18.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.25 -121.17 0.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -75.34 -61.62 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.44 -1.07 12.66 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.7 mtt-85 -95.55 -0.71 51.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 110.324 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 160.69 43.59 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.17 -72.6 0.34 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 0.792 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.57 151.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.481 ' HB ' ' CA ' ' A' ' 93' ' ' ASN . 9.0 t -74.33 147.89 41.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.54 147.62 52.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.509 HD11 ' HB3' ' A' ' 77' ' ' LEU . 5.5 tp -64.41 -45.77 86.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.469 ' HA ' ' CG ' ' A' ' 107' ' ' LYS . 56.6 t0 -57.58 -37.85 73.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.19 -35.18 59.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.745 HD13 ' CD2' ' A' ' 77' ' ' LEU . 46.9 mt -86.05 -29.97 23.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.469 ' CG ' ' HA ' ' A' ' 104' ' ' ASP . 11.9 mmtt -47.18 -44.42 22.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 103.71 4.86 45.61 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.72 4.74 53.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.787 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.444 ' HB3' ' CE ' ' A' ' 113' ' ' MET . . . -58.81 132.11 52.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.86 135.13 7.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.09 -18.86 37.9 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.529 ' SD ' HD21 ' A' ' 124' ' ' LEU . 5.1 mtt -102.4 -2.4 28.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 0.798 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 1.7 t -93.57 122.18 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 78.43 2.13 83.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -123.19 107.1 32.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.321 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -77.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -53.95 -35.38 61.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -66.85 -39.41 93.43 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.532 ' CG ' HD11 ' A' ' 124' ' ' LEU . 6.6 tt0 -64.64 -43.77 92.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.754 . . . . 0.0 110.324 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.78 -33.83 76.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.21 -24.96 51.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.523 HD13 ' CG ' ' A' ' 113' ' ' MET . 0.2 OUTLIER -79.03 -31.49 44.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.532 HD11 ' CG ' ' A' ' 120' ' ' GLN . 1.5 mt -86.78 177.71 7.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.444 ' NH1' ' HB2' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -109.1 156.84 38.51 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.304 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 108.84 2.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.559 1.821 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.99 -36.6 1.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.473 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 6.7 mt-10 -67.07 -31.88 72.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.536 ' HA ' HD12 ' A' ' 132' ' ' ILE . 3.5 mt -60.09 -49.04 79.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.54 -39.45 81.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.22 -44.44 88.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 129' ' ' LEU . 5.9 mt -68.63 -38.83 79.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.488 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 62.5 m -63.51 -43.88 95.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.96 -47.93 67.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.4 m -58.77 -33.86 70.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.958 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.42 -43.12 91.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.49 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -65.4 -36.77 84.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.455 ' CB ' ' OE1' ' A' ' 76' ' ' GLN . 6.1 mm-40 -64.3 -43.62 94.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.41 ' HA ' ' HB1' ' A' ' 72' ' ' ALA . . . -67.62 -32.28 72.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.475 ' CE2' HG21 ' A' ' 40' ' ' VAL . 2.4 t80 -61.97 -49.06 77.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.943 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -31.38 71.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -61.8 -41.86 98.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.727 HG22 ' HB3' ' A' ' 68' ' ' LEU . 77.8 t -77.87 -43.21 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.411 ' O ' ' CG ' ' A' ' 32' ' ' ARG . . . -55.19 -49.99 70.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -60.04 -42.27 94.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.19 107.94 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -157.51 87.83 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -116.42 147.51 39.77 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.02 3.46 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.495 1.787 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -99.93 151.34 21.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 48.8 82.94 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 155' ' ' ASP . 18.4 Cg_endo -74.94 -46.98 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.471 1.774 . . . . 0.0 111.033 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' TRP . . . . . 0.82 ' HA ' HD12 ' A' ' 156' ' ' ILE . 18.5 p90 -51.75 -30.97 24.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 108.02 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.19 -31.88 73.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 152' ' ' PRO . 32.1 t70 -79.25 -22.07 45.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.82 HD12 ' HA ' ' A' ' 153' ' ' TRP . 9.5 mt -83.55 120.68 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.57 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 64.8 p -131.25 144.7 51.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.561 ' HG2' ' CD2' ' A' ' 167' ' ' PHE . 0.0 OUTLIER -79.46 122.55 26.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 110.313 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.454 ' N ' ' OE1' ' A' ' 158' ' ' GLN . . . -111.46 163.36 12.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.42 15.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.88 -30.25 35.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.011 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -102.78 135.59 44.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.4 t -57.25 132.85 54.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.086 . . . . 0.0 110.01 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.572 ' CE2' HG23 ' A' ' 219' ' ' ILE . 1.7 t80 -56.79 -52.46 64.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.866 HG23 HG21 ' A' ' 219' ' ' ILE . 0.3 OUTLIER -59.73 -48.2 88.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.484 ' N ' ' CG1' ' A' ' 165' ' ' VAL . 2.0 t0 -56.56 -44.65 81.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.762 ' CZ ' HD12 ' A' ' 171' ' ' LEU . 1.1 t80 -65.86 -38.99 90.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -56.82 -33.74 67.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -69.29 -49.56 54.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.419 ' NH2' ' HD2' ' A' ' 173' ' ' LYS . 3.3 mmp_? -60.59 -37.09 80.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.276 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.762 HD12 ' CZ ' ' A' ' 167' ' ' PHE . 5.2 tt -72.36 -49.08 36.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.554 HG12 HD13 ' A' ' 189' ' ' ILE . 55.1 mt -56.48 -46.7 82.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 173' ' ' LYS . . . . . 0.419 ' HD2' ' NH2' ' A' ' 170' ' ' ARG . 0.2 OUTLIER -60.18 -39.93 88.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.603 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -63.24 -44.92 93.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 0.694 HG11 ' HB3' ' A' ' 185' ' ' ARG . 22.6 t -65.47 -38.49 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -36.78 58.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -106.16 24.51 26.17 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 4.2 p -108.74 166.45 10.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 0.76 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -78.88 66.48 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.646 HD11 HG11 ' A' ' 188' ' ' VAL . 7.7 mt -131.33 140.97 40.13 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.2 Cg_endo -75.03 157.58 42.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 182' ' ' PRO . . . . . 0.517 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.3 Cg_endo -74.96 82.02 2.08 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 183' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.6 OUTLIER 157.89 -31.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.71 ' O ' HG23 ' A' ' 188' ' ' VAL . . . -84.81 -18.92 33.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 185' ' ' ARG . . . . . 0.694 ' HB3' HG11 ' A' ' 175' ' ' VAL . 58.6 mtm180 -75.29 -21.56 58.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.959 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . -64.01 -58.4 14.69 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 187' ' ' PRO . . . . . 0.959 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.1 Cg_endo -75.04 -37.55 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.78 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 184' ' ' ALA . 21.9 t -57.16 -39.86 69.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.679 HD12 ' O ' ' A' ' 185' ' ' ARG . 50.3 mt -68.04 -48.33 74.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 190' ' ' ILE . . . . . 0.553 HD11 ' C ' ' A' ' 214' ' ' THR . 65.2 mt -63.0 -42.29 96.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 191' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 195' ' ' GLN . 0.6 OUTLIER -59.12 -40.46 85.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 192' ' ' CYS . . . . . 0.553 ' HB3' HD11 ' A' ' 171' ' ' LEU . 83.0 m -53.61 -45.94 70.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 108.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 193' ' ' PHE . . . . . 0.47 ' N ' ' CD1' ' A' ' 193' ' ' PHE . 6.4 m-30 -62.1 -30.64 71.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 194' ' ' ARG . . . . . 0.604 ' HB3' HG21 ' A' ' 205' ' ' ILE . 0.1 OUTLIER -113.35 29.97 7.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 195' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 191' ' ' ASP . 4.0 mt-30 -119.76 -40.21 2.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.337 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 196' ' ' LYS . . . . . 0.528 ' HG3' HG22 ' A' ' 157' ' ' THR . 0.1 OUTLIER -149.34 63.07 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 197' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 198' ' ' GLN . 2.0 m -146.11 157.87 43.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.967 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 198' ' ' GLN . . . . . 0.426 ' O ' ' O ' ' A' ' 197' ' ' SER . 0.1 OUTLIER -39.29 160.28 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 199' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 198' ' ' GLN . 18.2 Cg_endo -75.02 -32.05 5.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -57.93 -43.78 86.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 41.7 mm -74.9 -45.46 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -60.19 -38.66 83.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -65.57 -34.46 78.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.669 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.3 OUTLIER -70.31 -48.94 54.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.604 HG21 ' HB3' ' A' ' 194' ' ' ARG . 0.5 OUTLIER -63.81 -40.02 87.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -64.17 -34.35 77.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -89.49 3.98 50.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 208' ' ' ALA . . . . . 0.523 ' HA ' ' CE2' ' A' ' 221' ' ' TYR . . . -61.33 154.17 64.6 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 209' ' ' PRO . . . . . 0.493 ' HD2' HD11 ' A' ' 212' ' ' LEU . 18.4 Cg_endo -74.96 154.67 42.86 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.485 1.781 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.26 11.11 15.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 17.7 m -94.26 -14.6 25.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 212' ' ' LEU . . . . . 0.7 ' O ' HG23 ' A' ' 213' ' ' THR . 0.2 OUTLIER -135.86 142.45 44.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.6 p -160.19 46.76 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.386 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 214' ' ' THR . . . . . 0.553 ' C ' HD11 ' A' ' 190' ' ' ILE . 38.1 p -126.54 159.23 64.45 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.397 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.83 3.77 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.549 1.815 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -156.41 -57.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -74.5 -30.4 61.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.244 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 218' ' ' ILE . . . . . 0.511 HG12 HD13 ' A' ' 190' ' ' ILE . 0.7 OUTLIER -63.14 -45.57 98.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 219' ' ' ILE . . . . . 0.866 HG21 HG23 ' A' ' 165' ' ' VAL . 3.4 mt -73.03 -45.68 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -57.23 -36.32 70.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.523 ' CE2' ' HA ' ' A' ' 208' ' ' ALA . 0.8 OUTLIER -71.55 -45.72 61.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.48 HG13 HD13 ' A' ' 204' ' ' LEU . 12.6 t -60.61 -48.7 87.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.593 HD11 ' CG2' ' A' ' 165' ' ' VAL . 83.9 mt -61.93 -37.87 86.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -66.98 -31.91 72.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 225' ' ' ARG . . . . . 0.669 ' HB3' HD11 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -77.57 -40.94 40.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -51.89 -46.83 64.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.38 112.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.37 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 228' ' ' ILE . . . . . 0.638 ' O ' ' HB2' ' A' ' 229' ' ' ALA . 4.7 mp -118.2 153.53 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 229' ' ' ALA . . . . . 0.85 ' HB3' ' HD3' ' A' ' 230' ' ' PRO . . . 166.54 -54.55 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 230' ' ' PRO . . . . . 0.85 ' HD3' ' HB3' ' A' ' 229' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.8 m -132.22 105.23 13.55 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.387 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 142.01 27.35 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.797 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.852 ' HG ' HD11 ' A' ' 19' ' ' ILE . 3.3 tt -90.86 99.38 12.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.496 ' HB2' HD12 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -88.63 128.77 51.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.28 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 15' ' ' GLU . 18.2 Cg_endo -75.06 -34.43 3.78 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.781 . . . . 0.0 110.97 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.06 -43.79 77.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.496 HD12 ' HB2' ' A' ' 15' ' ' GLU . 39.5 mt -68.69 -41.45 79.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.852 HD11 ' HG ' ' A' ' 14' ' ' LEU . 23.1 mt -59.86 -37.49 72.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.2 m -66.54 -39.03 88.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 0.0 110.372 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -64.64 -48.46 74.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 110.372 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.45 HD22 ' HG3' ' A' ' 39' ' ' GLU . 3.0 mt -66.46 -41.78 88.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.422 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -59.92 -36.66 77.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.89 -42.2 99.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.501 HG23 ' HG3' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -59.33 -37.46 77.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.414 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.967 HG13 ' OG1' ' A' ' 36' ' ' THR . 13.7 t -61.79 -43.81 97.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -48.3 80.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.7 p -71.11 -30.74 66.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.376 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.788 ' CB ' HG21 ' A' ' 35' ' ' ILE . 17.8 mmtt -82.57 -14.62 54.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 95.83 122.29 3.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.795 HD12 HG12 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -67.7 -27.95 67.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.5 ttt-85 -94.22 1.92 55.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 m -88.76 156.7 49.82 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.953 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 49.41 2.25 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.468 1.773 . . . . 0.0 111.019 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.788 HG21 ' CB ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -131.36 -34.88 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.967 ' OG1' HG13 ' A' ' 26' ' ' VAL . 22.7 m -57.37 -42.6 82.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.396 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.474 ' CE ' ' HG3' ' A' ' 141' ' ' ARG . 0.3 OUTLIER -65.0 -41.19 95.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.65 -53.1 30.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.573 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -59.74 -47.29 86.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 36' ' ' THR . 44.8 t -60.15 -48.52 87.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 45' ' ' SER . 8.0 mt-10 -62.37 -24.41 67.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.346 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -64.45 -55.68 19.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.939 HD11 HD21 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -72.8 -41.3 65.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.519 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 30.8 mtt -73.64 -10.98 60.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 41' ' ' GLU . 8.5 t -38.24 -30.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.985 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -110.95 166.55 10.55 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.955 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 147.12 33.36 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.5 1.789 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.539 HD13 HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -146.99 165.11 30.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.855 HD21 ' HB2' ' A' ' 121' ' ' ALA . 2.5 mm? -67.92 163.13 53.0 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.445 ' O ' HG23 ' A' ' 54' ' ' THR . 18.3 Cg_endo -75.03 -34.08 4.06 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.496 1.787 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -67.99 -40.58 83.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.571 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.509 ' OD2' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -63.9 -33.1 74.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 49' ' ' LEU . 54.7 t -58.29 -45.56 89.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 50' ' ' PRO . 30.7 p -66.57 -44.99 80.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.372 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.474 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -63.85 -35.33 80.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.939 HD21 HD11 ' A' ' 43' ' ' LEU . 3.1 tp -71.57 -52.29 18.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.544 ' HG2' ' CD1' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -58.25 -44.63 88.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' A' ' 61' ' ' LEU . 21.8 ttt180 -57.0 -36.45 70.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 55' ' ' ASN . 21.9 t -70.66 -35.09 59.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.534 ' HB ' HD23 ' A' ' 61' ' ' LEU . 5.1 mt -77.16 -43.58 31.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.592 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -123.54 133.59 53.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.46 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -50.1 -176.69 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.416 ' O ' ' HB3' ' A' ' 66' ' ' TYR . 18.4 Cg_endo -75.0 -18.13 18.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.953 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.42 -59.76 3.01 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.953 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.0 0.5 8.83 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.444 1.76 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.422 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 27.2 t80 -75.16 -44.86 44.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.46 -29.84 68.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.734 ' HB3' HG22 ' A' ' 143' ' ' VAL . 6.9 mp -68.56 -44.38 74.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.544 ' CD1' ' HG2' ' A' ' 57' ' ' MET . 16.1 t90 -70.57 -39.84 73.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.044 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.407 ' HE1' HG22 ' A' ' 54' ' ' THR . 2.0 mmt -60.7 -41.23 94.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -70.65 -44.8 66.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.511 ' O ' ' NE2' ' A' ' 76' ' ' GLN . . . -67.72 -30.34 69.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.512 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 19.6 t90 -66.77 -37.28 84.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 108.018 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.34 -41.8 98.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.4 t -68.08 -46.86 80.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.511 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 2.8 mp0 -59.21 -46.54 88.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.793 ' CD2' HD13 ' A' ' 106' ' ' LEU . 2.8 mt -58.54 -44.05 89.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.405 ' N ' HD11 ' A' ' 103' ' ' LEU . 27.9 mt-30 -58.21 -37.07 74.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 76' ' ' GLN . 0.8 OUTLIER -60.48 -35.53 76.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.415 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.1 t -71.16 -37.94 68.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.694 HD11 HD12 ' A' ' 106' ' ' LEU . 6.3 mm -63.84 -49.39 82.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.45 -43.24 81.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.84 -46.47 81.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.57 -35.02 79.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.8 m -66.56 -41.83 88.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.7 mtt85 -69.02 -41.09 78.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -116.08 106.66 49.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 54.28 3.6 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.464 1.771 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -148.04 18.24 1.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 0.2 OUTLIER -83.42 137.11 42.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.588 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.4 Cg_endo -74.96 -22.96 14.35 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.79 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.84 -15.79 45.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.454 ' CA ' ' HB ' ' A' ' 101' ' ' THR . 15.0 p30 -111.4 154.15 25.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -38.95 -79.58 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -169.14 63.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 0.782 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.07 -144.78 15.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -87.06 -0.44 56.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 0.737 . . . . 0.0 110.27 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.45 -34.94 80.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -125.27 -51.59 1.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 0.744 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 66.31 139.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.454 ' HB ' ' CA ' ' A' ' 93' ' ' ASN . 3.5 t -75.38 166.33 23.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -146.31 142.76 28.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.469 ' CD1' HG12 ' A' ' 81' ' ' ILE . 3.6 tp -56.86 -40.86 76.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -63.22 -42.93 99.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -55.07 -45.81 75.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.793 HD13 ' CD2' ' A' ' 77' ' ' LEU . 55.6 mt -70.28 -16.09 62.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.88 -14.64 41.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.37 33.68 8.52 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.516 ' HA ' HG22 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -97.87 6.62 47.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.657 ' HB3' ' HB2' ' A' ' 113' ' ' MET . . . -58.48 138.17 56.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -56.93 123.26 14.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.07 -14.06 54.79 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.657 ' HB2' ' HB3' ' A' ' 110' ' ' ALA . 15.3 mtt -92.76 -21.5 19.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.79 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.516 HG22 ' HA ' ' A' ' 109' ' ' LEU . 1.7 t -78.22 126.08 38.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.05 -6.67 76.33 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.464 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 4.0 t30 -134.75 107.94 10.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.762 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -61.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 111.016 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -54.4 -50.23 68.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -61.79 -37.39 94.23 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.48 1.112 . . . . 0.0 111.034 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 20.8 tt0 -63.9 -44.48 92.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 0.73 . . . . 0.0 110.241 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.855 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -66.53 -31.57 72.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.33 -21.79 55.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.581 HD13 ' HG3' ' A' ' 113' ' ' MET . 0.6 OUTLIER -80.83 -27.57 36.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.535 HD11 HD21 ' A' ' 129' ' ' LEU . 2.0 pp -113.29 118.84 35.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.79 165.14 0.23 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 108.9 2.82 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.555 1.819 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.76 -51.29 0.28 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.475 ' HG3' ' CD2' ' A' ' 106' ' ' LEU . 1.1 tt0 -57.1 -33.18 67.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 0.742 . . . . 0.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.535 HD21 HD11 ' A' ' 124' ' ' LEU . 0.5 OUTLIER -64.99 -38.51 91.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.07 -39.87 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.57 94.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.485 ' CG1' HD22 ' A' ' 106' ' ' LEU . 31.6 mt -69.14 -38.56 78.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.358 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.472 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 87.6 m -65.84 -49.02 69.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.74 91.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 85.4 p -61.78 -33.93 74.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.52 -37.3 86.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.519 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -67.32 -40.07 85.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.453 ' HB3' ' CG ' ' A' ' 76' ' ' GLN . 0.3 OUTLIER -63.64 -40.05 95.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 110.285 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.56 -32.95 74.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.885 ' CE1' HG21 ' A' ' 36' ' ' THR . 1.5 t80 -64.87 -57.07 9.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.474 ' HG3' ' CE ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -53.79 -27.59 30.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -68.17 -39.05 82.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.734 HG22 ' HB3' ' A' ' 68' ' ' LEU . 41.0 t -80.65 -41.52 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.9 -47.76 73.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.252 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -66.97 -42.74 84.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.32 113.98 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -74.37 150.54 40.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -74.17 153.96 88.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 136.45 20.34 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.71 107.31 3.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 141.86 79.18 0.05 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.483 1.114 . . . . 0.0 110.958 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.405 ' O ' ' N ' ' A' ' 155' ' ' ASP . 18.3 Cg_endo -75.02 -37.72 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.524 1.802 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' TRP . . . . . 0.844 ' HA ' HD12 ' A' ' 156' ' ' ILE . 1.1 p90 -51.18 -33.04 25.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 108.021 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.71 -33.49 75.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 152' ' ' PRO . 89.3 m-20 -80.94 -20.78 41.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.844 HD12 ' HA ' ' A' ' 153' ' ' TRP . 31.1 mt -82.03 121.15 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.91 HG22 ' HD2' ' A' ' 196' ' ' LYS . 24.1 p -124.24 136.79 54.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.583 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 16.9 tp60 -75.24 112.93 12.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -114.17 162.6 12.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -26.19 11.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 80.7 p -71.69 -31.6 66.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.028 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -98.57 136.2 39.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.72 147.12 23.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -66.34 -52.09 50.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.869 HG22 ' CG2' ' A' ' 219' ' ' ILE . 1.4 t -65.74 -46.95 87.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -55.69 -47.56 76.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.73 ' CE1' HG22 ' A' ' 156' ' ' ILE . 64.9 t80 -69.26 -26.54 64.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -66.25 -50.07 65.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -57.38 -41.96 81.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -61.17 -37.13 81.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.685 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.2 OUTLIER -72.45 -48.84 37.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.431 HG12 HD13 ' A' ' 189' ' ' ILE . 16.2 mt -57.62 -38.58 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -66.28 -37.67 85.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.438 ' HB2' HD11 ' A' ' 156' ' ' ILE . . . -67.16 -52.9 35.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 0.533 HG13 HD12 ' A' ' 180' ' ' LEU . 54.5 t -58.73 -46.07 90.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -52.53 -33.21 44.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -108.83 26.37 15.98 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.418 ' HG ' HD12 ' A' ' 180' ' ' LEU . 10.0 p -112.66 166.19 11.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 0.799 . . . . 0.0 110.016 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -92.15 83.25 5.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.662 HD11 ' CZ3' ' A' ' 153' ' ' TRP . 22.2 mt -126.71 154.9 75.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.535 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.4 Cg_endo -74.99 163.27 35.7 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.476 1.777 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 182' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.2 Cg_endo -75.01 81.92 2.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.459 1.768 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 183' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.4 OUTLIER 159.18 -26.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.535 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -84.08 -11.3 56.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 185' ' ' ARG . . . . . 0.513 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 20.3 mtm180 -84.11 71.3 10.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.92 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 174.3 -56.95 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 187' ' ' PRO . . . . . 0.92 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -75.01 -26.75 10.6 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.781 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 7.9 t -69.89 -41.08 79.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.658 HD12 ' HG3' ' A' ' 215' ' ' PRO . 50.5 mt -68.1 -48.28 74.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 190' ' ' ILE . . . . . 0.833 HD11 ' C ' ' A' ' 214' ' ' THR . 77.1 mt -63.1 -40.11 87.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 191' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 195' ' ' GLN . 9.2 t0 -62.2 -38.95 91.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 192' ' ' CYS . . . . . 0.429 ' SG ' HD21 ' A' ' 171' ' ' LEU . 65.2 m -54.1 -44.18 71.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 108.352 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 193' ' ' PHE . . . . . 0.501 ' CD2' ' HA ' ' A' ' 190' ' ' ILE . 18.0 m-30 -60.02 -38.38 82.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 194' ' ' ARG . . . . . 0.479 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 0.0 OUTLIER -106.1 27.68 8.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 195' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 191' ' ' ASP . 1.0 OUTLIER -113.98 -39.09 4.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.235 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 196' ' ' LYS . . . . . 0.91 ' HD2' HG22 ' A' ' 157' ' ' THR . 0.0 OUTLIER -151.35 63.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.35 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 197' ' ' SER . . . . . 0.478 ' HB2' ' CG ' ' A' ' 158' ' ' GLN . 0.4 OUTLIER -148.64 164.54 34.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 198' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 197' ' ' SER . 0.5 OUTLIER -40.95 163.7 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 199' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 203' ' ' GLN . 18.2 Cg_endo -75.04 -32.34 5.41 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.801 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -63.86 -46.39 85.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 19.1 mm -69.51 -45.8 77.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -64.07 -42.4 96.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 203' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 199' ' ' PRO . 6.0 tp60 -64.17 -30.36 71.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.857 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.2 OUTLIER -70.66 -49.8 43.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.479 ' CG2' ' HB3' ' A' ' 194' ' ' ARG . 0.7 OUTLIER -63.86 -44.04 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.92 -33.8 76.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -92.54 5.59 50.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 208' ' ' ALA . . . . . 0.524 ' HA ' ' CZ ' ' A' ' 221' ' ' TYR . . . -60.42 160.47 17.97 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.24 33.6 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.65 8.28 14.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.015 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 3.8 t -92.06 -5.26 53.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.437 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 212' ' ' LEU . . . . . 0.747 ' O ' HG23 ' A' ' 213' ' ' THR . 2.5 pp -155.07 151.64 28.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.747 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.6 p -161.22 49.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 214' ' ' THR . . . . . 0.833 ' C ' HD11 ' A' ' 190' ' ' ILE . 33.4 p -114.59 156.91 44.08 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 215' ' ' PRO . . . . . 0.658 ' HG3' HD12 ' A' ' 189' ' ' ILE . 18.4 Cg_endo -74.98 10.98 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.48 1.779 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 216' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 214' ' ' THR . . . -116.03 -51.07 0.41 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 217' ' ' GLU . . . . . 0.431 ' OE1' ' CB ' ' A' ' 212' ' ' LEU . 12.4 mt-10 -64.56 -48.7 74.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 218' ' ' ILE . . . . . 0.615 HD12 HD13 ' A' ' 212' ' ' LEU . 1.5 mp -54.09 -32.8 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 219' ' ' ILE . . . . . 0.869 ' CG2' HG22 ' A' ' 165' ' ' VAL . 3.7 mm -62.2 -52.85 55.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.083 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -45.3 89.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.744 ' CZ ' HD23 ' A' ' 204' ' ' LEU . 2.3 t80 -56.09 -51.03 69.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.526 ' HA ' HD22 ' A' ' 204' ' ' LEU . 2.4 t -59.87 -51.61 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.865 HD11 HG21 ' A' ' 165' ' ' VAL . 91.9 mt -56.71 -35.76 68.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -65.98 -47.26 75.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 225' ' ' ARG . . . . . 0.857 ' HB3' HD11 ' A' ' 204' ' ' LEU . 0.6 OUTLIER -65.62 -32.58 74.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.333 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -52.69 -56.26 16.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -48.36 129.48 15.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 228' ' ' ILE . . . . . 0.543 HG23 ' O ' ' A' ' 228' ' ' ILE . 0.5 OUTLIER -133.42 97.87 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . -144.33 159.61 51.45 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 110.959 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.2 p -130.66 112.93 16.46 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.385 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 128.71 11.73 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.456 1.766 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tp -62.48 106.22 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.456 ' O ' ' CG1' ' A' ' 19' ' ' ILE . 10.6 tp10 -116.88 128.03 26.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -42.12 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.553 1.818 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -48.23 80.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.2 mt -68.6 -46.34 69.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.891 HG21 HD12 ' A' ' 56' ' ' LEU . 46.5 mt -58.28 -38.44 68.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 m -61.3 -40.83 95.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.433 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -66.43 -48.49 69.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.603 HD21 ' HG2' ' A' ' 39' ' ' GLU . 3.5 tt -61.09 -43.65 98.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.82 -32.41 70.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.946 ' O ' HG23 ' A' ' 28' ' ' THR . 0.5 OUTLIER -62.3 -40.35 95.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.517 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -62.69 -38.26 89.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.812 HG13 ' OG1' ' A' ' 36' ' ' THR . 15.2 t -58.81 -46.53 90.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -64.73 -48.34 74.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.248 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.946 HG23 ' O ' ' A' ' 24' ' ' ASP . 52.5 p -61.38 -37.82 84.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.381 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 25' ' ' THR . 7.3 mmmt -82.57 -12.69 57.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.57 124.96 4.79 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.757 HD12 HG12 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -67.44 -21.98 65.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 0.73 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 mtp85 -89.32 0.36 56.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.69 161.17 45.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.98 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -11.04 21.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.487 1.782 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.403 HD12 ' HE3' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -69.53 -29.1 40.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.812 ' OG1' HG13 ' A' ' 26' ' ' VAL . 18.1 m -61.55 -49.14 77.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.33 -34.41 78.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.44 -52.54 25.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.603 ' HG2' HD21 ' A' ' 22' ' ' LEU . 3.6 mt-10 -61.4 -45.62 93.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.343 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 36' ' ' THR . 63.0 t -59.55 -47.67 90.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.498 ' HG3' HD22 ' A' ' 137' ' ' LEU . 9.7 mt-10 -63.25 -23.28 67.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -64.42 -55.49 20.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 1.065 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -72.84 -46.88 50.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.508 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 24.2 mtt -70.76 -10.71 60.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' GLU . 5.4 t -35.93 -34.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.4 OUTLIER -108.92 165.92 11.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.956 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 149.63 37.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.806 . . . . 0.0 111.029 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.825 HD13 HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -146.55 -179.9 7.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.879 HD21 ' HB2' ' A' ' 121' ' ' ALA . 1.5 mm? -80.67 165.44 45.75 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.419 ' HD3' HD13 ' A' ' 49' ' ' LEU . 18.1 Cg_endo -75.04 -35.87 2.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.464 1.771 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.443 ' O ' ' OG1' ' A' ' 54' ' ' THR . 1.3 t-160 -67.96 -40.96 83.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.608 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 0.6 OUTLIER -64.88 -32.38 74.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.825 HG23 HD13 ' A' ' 48' ' ' LEU . 2.7 t -58.56 -46.72 89.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 51' ' ' HIS . 77.4 p -67.32 -42.7 83.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.402 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.482 ' ND2' ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -63.54 -40.17 96.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.065 HD21 ' CD1' ' A' ' 43' ' ' LEU . 7.3 tp -68.37 -51.51 43.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.521 ' HG2' ' CE2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -57.78 -44.09 86.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -55.04 -36.44 65.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.336 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 55' ' ' ASN . 35.6 t -68.89 -33.76 60.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.415 1.072 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.625 ' HB ' HD23 ' A' ' 61' ' ' LEU . 2.9 mt -79.82 -43.95 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.625 HD23 ' HB ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -120.94 131.15 54.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.518 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -54.1 -166.94 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -24.16 13.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.908 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -69.0 -57.69 7.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.908 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -74.98 2.84 6.17 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.545 1.813 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.43 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 54.8 t80 -72.72 -46.4 53.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.91 -29.19 69.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.578 HD23 HG13 ' A' ' 143' ' ' VAL . 3.7 mp -63.55 -48.87 75.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.793 ' CH2' ' CE3' ' A' ' 73' ' ' TRP . 36.3 t90 -69.75 -39.22 76.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 107.981 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.436 ' HE1' ' HB ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -59.37 -45.03 92.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.36 -46.72 79.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.01 -28.57 67.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.793 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 16.8 t90 -71.6 -40.22 69.98 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.3 -48.1 87.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.4 t -68.11 -47.16 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.451 ' OE1' ' CB ' ' A' ' 138' ' ' GLN . 48.9 mm-40 -54.85 -44.46 73.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.585 ' HB3' HD11 ' A' ' 103' ' ' LEU . 2.7 mt -59.76 -45.76 91.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.445 ' HA ' HD13 ' A' ' 103' ' ' LEU . 24.4 mt-30 -60.09 -34.2 73.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 76' ' ' GLN . 0.9 OUTLIER -61.73 -35.67 78.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.409 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.453 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 2.2 t -71.06 -34.33 54.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.536 ' CD1' ' CG2' ' A' ' 101' ' ' THR . 18.6 mm -68.18 -47.95 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.77 -50.94 54.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.71 -40.67 76.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.504 ' HA ' ' CD2' ' A' ' 90' ' ' HIS . . . -62.66 -35.84 80.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.54 -38.45 65.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.375 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.59 -29.3 62.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -118.7 107.0 43.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 54.51 3.68 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.464 1.771 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -156.58 24.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.504 ' CD2' ' HA ' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -89.28 139.04 28.48 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.604 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -21.42 15.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.461 1.769 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.792 ' HB1' ' CG2' ' A' ' 101' ' ' THR . . . -63.05 -24.45 67.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 90' ' ' HIS . 19.2 p30 -93.84 154.88 17.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 138.21 89.14 0.21 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -132.14 -61.5 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.736 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -146.8 -128.08 1.86 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -83.05 0.25 45.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.764 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -95.51 -49.74 2.12 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.567 1.167 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 59.12 55.64 4.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 110.315 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 -122.48 138.64 54.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.792 ' CG2' ' HB1' ' A' ' 92' ' ' ALA . 18.9 m -70.36 164.73 23.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.399 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.426 ' CB ' ' HD2' ' A' ' 105' ' ' ARG . 6.7 m120 -142.36 120.93 12.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.585 HD11 ' HB3' ' A' ' 77' ' ' LEU . 4.8 tp -61.88 -30.3 70.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.21 -44.78 82.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.426 ' HD2' ' CB ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -57.69 -47.32 82.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.444 HD13 ' CD2' ' A' ' 77' ' ' LEU . 97.2 mt -70.42 -26.73 63.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -54.91 -48.81 72.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.936 ' O ' HG13 ' A' ' 114' ' ' VAL . . . 100.76 5.9 53.14 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.447 1.092 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -89.04 -0.03 57.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.471 ' HB3' ' HG2' ' A' ' 113' ' ' MET . . . -58.72 165.3 2.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.73 122.03 18.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.99 -17.7 44.72 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.963 ' SD ' HD13 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -68.62 -35.98 78.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 110.999 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.936 HG13 ' O ' ' A' ' 108' ' ' GLY . 0.2 OUTLIER -98.41 132.71 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.07 2.01 66.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 71.6 m-80 -155.5 101.67 2.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -61.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.791 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -53.89 -52.73 59.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.87 -33.87 75.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.448 ' CG ' HD11 ' A' ' 124' ' ' LEU . 24.2 tt0 -66.04 -43.72 86.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.879 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -65.94 -31.64 72.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.69 -22.02 54.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.963 HD13 ' SD ' ' A' ' 113' ' ' MET . 2.0 tt -80.64 -38.0 29.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.448 HD11 ' CG ' ' A' ' 120' ' ' GLN . 0.3 OUTLIER -85.63 176.25 8.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.445 ' NH1' ' O ' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -99.01 156.4 35.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.253 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.61 2.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.552 1.817 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 147.63 -38.88 1.05 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -31.97 72.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.415 ' HA ' HD12 ' A' ' 132' ' ' ILE . 3.3 mt -58.79 -48.34 81.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 22.7 t -59.33 -39.92 80.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.57 -47.08 87.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.431 ' CG1' HD22 ' A' ' 106' ' ' LEU . 21.1 mt -61.64 -38.31 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.469 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 24.2 m -68.4 -39.23 81.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.379 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.45 -48.14 65.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 83.8 p -66.3 -34.07 77.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.28 93.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.554 HD21 HG12 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -69.99 -36.88 75.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.451 ' CB ' ' OE1' ' A' ' 76' ' ' GLN . 3.6 mt-30 -67.49 -31.47 71.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.344 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -73.28 -34.96 66.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.669 ' CE1' HG21 ' A' ' 36' ' ' THR . 6.6 t80 -67.25 -55.16 15.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -59.1 -24.86 63.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -66.34 -42.93 87.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.578 HG13 HD23 ' A' ' 68' ' ' LEU . 25.6 t -70.63 -42.72 77.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -67.73 -21.18 65.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -33.14 59.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.12 107.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -173.06 163.25 4.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -117.96 141.98 30.14 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 158.37 42.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -103.91 151.99 22.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 147.65 82.39 0.04 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.57 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.4 Cg_endo -75.01 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.513 1.796 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' TRP . . . . . 0.683 ' CH2' HD11 ' A' ' 180' ' ' LEU . 29.6 p90 -100.98 -20.36 15.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 107.991 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.5 -33.15 70.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -83.14 -22.13 33.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.683 HG22 ' CE1' ' A' ' 167' ' ' PHE . 67.7 mt -76.0 120.88 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.66 HG23 ' HD2' ' A' ' 196' ' ' LYS . 5.8 m -130.88 143.64 50.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.561 ' HG2' ' CD2' ' A' ' 167' ' ' PHE . 0.0 OUTLIER -85.84 120.62 27.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.249 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.537 ' O ' ' NE2' ' A' ' 158' ' ' GLN . . . -115.53 166.76 12.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.25 18.87 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.802 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.59 -34.99 53.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -100.48 135.25 42.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.256 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.82 147.23 28.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.605 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.9 OUTLIER -62.85 -51.68 66.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.947 HG23 HG21 ' A' ' 219' ' ' ILE . 0.5 OUTLIER -62.37 -43.2 97.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -58.22 -47.7 82.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.683 ' CE1' HG22 ' A' ' 156' ' ' ILE . 59.1 t80 -64.49 -42.13 96.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.4 ' O ' HD12 ' A' ' 172' ' ' ILE . . . -55.46 -39.72 70.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -61.75 -47.18 86.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 29.1 mmt85 -59.24 -41.19 88.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.592 HD12 ' CZ ' ' A' ' 167' ' ' PHE . 0.5 OUTLIER -66.89 -46.74 73.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.51 HG12 HD13 ' A' ' 189' ' ' ILE . 13.0 mt -58.62 -43.34 87.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -61.46 -38.79 88.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -67.46 -51.2 54.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 0.64 HG13 HD12 ' A' ' 180' ' ' LEU . 24.5 t -57.21 -39.19 65.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.439 ' OE1' ' NH2' ' A' ' 185' ' ' ARG . 0.0 OUTLIER -64.96 -56.22 14.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -50.59 -33.09 25.36 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 41.9 p -73.72 166.04 24.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -102.7 54.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.683 HD11 ' CH2' ' A' ' 153' ' ' TRP . 10.9 mt -69.02 160.08 80.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.628 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.2 Cg_endo -74.93 163.86 34.59 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 182' ' ' PRO . . . . . 0.41 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.3 Cg_endo -75.04 76.73 3.33 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 183' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.4 OUTLIER 165.22 -30.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.628 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -85.71 -11.26 54.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 185' ' ' ARG . . . . . 0.568 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 47.5 mtp180 -87.04 67.49 9.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.845 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 171.57 -55.8 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 187' ' ' PRO . . . . . 0.845 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -75.03 -30.38 7.18 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.768 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.421 HG21 ' HB1' ' A' ' 184' ' ' ALA . 54.7 t -64.13 -38.22 81.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.524 HG13 HG21 ' A' ' 175' ' ' VAL . 22.0 mt -68.11 -48.02 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 190' ' ' ILE . . . . . 0.53 ' CD1' ' C ' ' A' ' 213' ' ' THR . 55.7 mt -68.13 -34.94 69.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 191' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 187' ' ' PRO . 16.2 t0 -58.23 -43.51 87.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 21.4 m -59.9 -48.62 80.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 108.253 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 193' ' ' PHE . . . . . 0.472 ' CZ ' HG22 ' A' ' 189' ' ' ILE . 10.6 m-30 -53.69 -40.71 66.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -94.49 10.07 36.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -88.73 -44.08 10.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 196' ' ' LYS . . . . . 0.66 ' HD2' HG23 ' A' ' 157' ' ' THR . 4.7 ttmt -139.12 -90.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 197' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 196' ' ' LYS . 1.8 m 37.8 -156.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.024 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -96.2 169.91 8.31 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 199' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' A' ' 203' ' ' GLN . 18.4 Cg_endo -74.97 -36.07 2.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 200' ' ' ASP . . . . . 0.468 ' CG ' ' N ' ' A' ' 201' ' ' ILE . 3.4 p-10 -65.06 -50.12 67.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.468 ' N ' ' CG ' ' A' ' 200' ' ' ASP . 32.5 mm -68.42 -40.95 83.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -66.94 -40.14 87.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.326 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 203' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 199' ' ' PRO . 5.2 tp-100 -65.3 -31.71 72.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.876 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.6 OUTLIER -70.26 -49.93 44.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.578 HG13 HG21 ' A' ' 222' ' ' VAL . 6.2 mt -64.34 -37.49 80.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 14.8 mtt-85 -63.57 -33.59 75.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -87.94 2.96 50.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 208' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -60.01 155.07 46.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 209' ' ' PRO . . . . . 0.659 ' HD2' HD11 ' A' ' 212' ' ' LEU . 18.4 Cg_endo -74.96 155.15 43.1 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.71 26.34 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 3.3 t -111.27 -7.49 14.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.545 1.153 . . . . 0.0 110.454 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 212' ' ' LEU . . . . . 0.659 HD11 ' HD2' ' A' ' 209' ' ' PRO . 0.5 OUTLIER -140.22 167.0 23.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.536 ' HA ' HD11 ' A' ' 218' ' ' ILE . 0.4 OUTLIER 176.76 43.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 214' ' ' THR . . . . . 0.432 ' C ' HD11 ' A' ' 190' ' ' ILE . 69.5 p -117.43 156.24 49.31 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.415 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 215' ' ' PRO . . . . . 0.478 ' HG3' HD12 ' A' ' 189' ' ' ILE . 18.3 Cg_endo -75.05 54.39 3.65 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.5 1.789 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -156.4 -58.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 217' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 221' ' ' TYR . 1.7 mp0 -74.98 -29.27 60.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 0.744 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 218' ' ' ILE . . . . . 0.536 HD11 ' HA ' ' A' ' 213' ' ' THR . 1.3 mp -66.1 -46.74 87.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 219' ' ' ILE . . . . . 0.947 HG21 HG23 ' A' ' 165' ' ' VAL . 4.1 mt -70.05 -50.56 46.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 220' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 221' ' ' TYR . 0.0 OUTLIER -55.53 -39.88 71.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.437 ' CB ' ' O ' ' A' ' 217' ' ' GLU . 8.4 t80 -63.93 -50.59 68.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.713 HG13 HD13 ' A' ' 204' ' ' LEU . 12.2 t -60.51 -43.87 95.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 36.1 mt -62.4 -40.6 97.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -62.95 -49.99 72.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 225' ' ' ARG . . . . . 0.876 ' HB3' HD11 ' A' ' 204' ' ' LEU . 3.9 tpt180 -60.48 -39.88 89.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -52.62 -49.28 65.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.6 173.26 4.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.233 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 228' ' ' ILE . . . . . 0.633 ' O ' ' HB2' ' A' ' 229' ' ' ALA . 3.0 tt -89.06 172.91 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 229' ' ' ALA . . . . . 0.838 ' HB3' ' HD3' ' A' ' 230' ' ' PRO . . . 167.68 -54.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 230' ' ' PRO . . . . . 0.838 ' HD3' ' HB3' ' A' ' 229' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 4.8 m95 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.572 HG23 ' HD2' ' A' ' 13' ' ' PRO . 16.2 m -102.64 142.79 25.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.572 ' HD2' HG23 ' A' ' 12' ' ' THR . 18.5 Cg_endo -74.99 145.68 31.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.059 ' CD1' HD11 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -62.01 155.9 22.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.429 ' CD ' HD12 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -83.66 127.91 65.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 15' ' ' GLU . 18.4 Cg_endo -75.02 -26.59 10.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.494 1.786 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 18' ' ' LEU . 9.7 pttt -57.42 -49.93 74.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.429 HD12 ' CD ' ' A' ' 15' ' ' GLU . 27.9 mt -63.7 -37.09 86.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.059 HD11 ' CD1' ' A' ' 14' ' ' LEU . 18.1 mt -65.29 -37.08 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.401 ' O ' ' CG ' ' A' ' 24' ' ' ASP . 26.1 m -60.04 -37.64 80.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.372 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -48.3 74.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.475 HD21 ' HG3' ' A' ' 39' ' ' GLU . 0.4 OUTLIER -66.5 -40.4 89.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.24 -33.88 77.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.771 ' O ' HG23 ' A' ' 28' ' ' THR . 94.2 m-20 -62.16 -42.71 99.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.498 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.2 m -60.98 -37.93 84.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.395 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.905 ' CG1' HG23 ' A' ' 36' ' ' THR . 63.5 t -62.05 -41.88 92.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -62.74 -48.35 79.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.771 HG23 ' O ' ' A' ' 24' ' ' ASP . 19.1 p -70.37 -29.33 65.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.694 ' CB ' HG21 ' A' ' 35' ' ' ILE . 20.8 mmtt -85.67 -13.86 47.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 97.05 119.02 3.74 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.94 -27.96 69.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 0.738 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.19 -0.25 57.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.01 169.15 15.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.974 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -30.96 6.61 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.694 HG21 ' CB ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -53.06 -22.81 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.905 HG23 ' CG1' ' A' ' 26' ' ' VAL . 50.3 m -65.54 -49.41 69.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 28.0 mmt -64.45 -35.69 81.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.23 -52.02 38.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.524 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -61.17 -47.43 86.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 36' ' ' THR . 53.0 t -60.56 -44.7 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.252 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 45' ' ' SER . 34.6 mt-10 -67.34 -24.35 65.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -62.32 -55.08 31.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.713 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -72.87 -46.62 51.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.357 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.573 ' HB3' HG22 ' A' ' 133' ' ' THR . 27.3 mtt -68.67 -11.25 59.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 41' ' ' GLU . 7.3 t -37.92 -31.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -108.82 165.83 11.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.983 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.86 34.56 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.444 HD13 HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -149.31 172.73 14.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.992 HD21 ' HB2' ' A' ' 121' ' ' ALA . 0.2 OUTLIER -74.91 165.18 56.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.499 ' O ' HG23 ' A' ' 54' ' ' THR . 18.2 Cg_endo -75.06 -31.48 6.09 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -41.29 82.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.616 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.43 ' HA ' ' OD1' ' A' ' 55' ' ' ASN . 48.1 m-20 -63.76 -32.65 74.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 49' ' ' LEU . 41.2 t -59.24 -44.93 93.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 50' ' ' PRO . 29.3 p -66.57 -46.64 75.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.514 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -63.47 -34.08 76.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.713 HD21 ' CD1' ' A' ' 43' ' ' LEU . 11.0 tp -71.82 -53.72 12.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.462 ' HG2' ' CE2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -57.33 -46.09 83.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 61' ' ' LEU . 30.4 ttt180 -56.91 -36.02 69.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 55' ' ' ASN . 17.4 t -71.13 -35.58 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.432 ' HB ' HD23 ' A' ' 61' ' ' LEU . 4.6 mt -77.65 -43.87 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.444 HD22 ' CE2' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -124.75 137.95 54.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.457 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -48.57 178.97 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.488 1.118 . . . . 0.0 111.027 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.425 ' HA ' ' HB3' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.02 -18.83 18.37 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.43 1.752 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.971 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -69.25 -60.21 4.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.971 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.98 -1.3 11.04 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.454 1.765 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.544 ' CZ ' ' SD ' ' A' ' 70' ' ' MET . 34.5 t80 -78.09 -42.01 33.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.26 90.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' A' ' 65' ' ' PRO . 6.0 mp -62.05 -37.34 84.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.667 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 16.0 t90 -67.97 -35.76 78.91 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.544 ' SD ' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -63.55 -44.26 94.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.85 -43.71 98.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.29 -31.34 64.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.667 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 20.4 t90 -65.9 -47.31 75.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 108.015 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.88 -44.01 92.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.3 t -68.02 -44.19 84.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 0.77 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.584 ' O ' HG22 ' A' ' 79' ' ' THR . 80.3 mm-40 -58.49 -46.23 87.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.745 ' CD2' HD13 ' A' ' 106' ' ' LEU . 2.7 mt -57.55 -47.04 83.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.587 ' HG3' HD21 ' A' ' 103' ' ' LEU . 42.7 mt-30 -58.66 -30.26 67.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.584 HG22 ' O ' ' A' ' 76' ' ' GLN . 0.5 OUTLIER -65.66 -35.25 80.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.384 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.709 HG12 HD12 ' A' ' 81' ' ' ILE . 0.9 OUTLIER -71.14 -44.13 74.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.709 HD12 HG12 ' A' ' 80' ' ' VAL . 1.5 mp -64.93 -49.27 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.402 ' HA ' HG22 ' A' ' 85' ' ' THR . . . -65.94 -33.75 76.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 79' ' ' THR . . . -67.61 -44.89 76.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.621 ' HB1' ' HB3' ' A' ' 93' ' ' ASN . . . -65.57 -51.05 62.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.428 ' CB ' ' HD2' ' A' ' 100' ' ' ARG . 1.2 t -62.29 -30.52 71.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.363 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 82' ' ' ALA . 0.9 OUTLIER -75.78 -39.38 57.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.297 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' A' ' 87' ' ' ASP . 3.1 p30 -134.33 119.0 14.07 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 55.12 3.88 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -134.74 15.86 3.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.518 ' CB ' ' OD1' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -91.44 138.95 25.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.643 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.2 Cg_endo -75.02 -22.0 15.23 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.487 1.783 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.403 ' O ' ' HB ' ' A' ' 101' ' ' THR . . . -80.37 -13.11 59.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.621 ' HB3' ' HB1' ' A' ' 84' ' ' ALA . 1.1 p-10 -119.6 154.38 34.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -100.69 -85.2 1.85 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.465 1.103 . . . . 0.0 110.951 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -171.95 -50.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 110.332 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.43 174.1 1.0 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.8 0.2 31.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 0.793 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -111.11 -49.06 0.68 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.482 ' O ' ' C ' ' A' ' 100' ' ' ARG . 1.7 mm-40 -49.91 -48.58 51.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 99' ' ' GLU . 20.3 ttp180 -32.41 137.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.25 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.595 HG23 HG13 ' A' ' 81' ' ' ILE . 1.5 t -70.51 170.33 12.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.409 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -155.6 152.19 28.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.587 HD21 ' HG3' ' A' ' 78' ' ' GLN . 1.4 tp -55.82 -43.06 76.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -62.87 -43.08 99.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.434 ' NH1' ' O ' ' A' ' 99' ' ' GLU . 3.5 ttp180 -59.71 -46.81 87.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.333 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.745 HD13 ' CD2' ' A' ' 77' ' ' LEU . 31.0 mt -72.68 -15.99 61.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -78.5 -42.02 30.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 102.16 25.6 7.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.599 ' HA ' HG22 ' A' ' 114' ' ' VAL . 17.2 tp -98.99 5.3 47.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.421 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -60.32 157.01 14.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -56.48 124.47 18.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.99 2.28 71.07 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.542 1.151 . . . . 0.0 110.962 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.639 ' SD ' HD21 ' A' ' 124' ' ' LEU . 30.4 ttm -101.72 -9.47 20.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.764 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.599 HG22 ' HA ' ' A' ' 109' ' ' LEU . 0.9 OUTLIER -92.08 123.16 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 86.45 3.05 84.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.482 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 12.2 t-20 -124.52 103.44 31.93 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -71.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -53.92 -47.21 71.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.01 -36.52 88.74 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.529 ' CG ' HD11 ' A' ' 124' ' ' LEU . 4.2 tt0 -65.49 -43.59 89.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 0.762 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.992 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -65.95 -35.56 80.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.92 -17.72 58.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.466 HD13 ' HE2' ' A' ' 113' ' ' MET . 1.0 OUTLIER -83.42 -36.9 23.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.639 HD21 ' SD ' ' A' ' 113' ' ' MET . 0.2 OUTLIER -87.76 132.94 33.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.41 157.17 3.62 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 109.11 2.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.1 -37.19 1.26 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -33.52 70.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.9 -44.04 94.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 41.6 t -59.8 -39.87 81.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.74 78.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 50.2 mt -67.32 -40.32 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.573 HG22 ' HB3' ' A' ' 44' ' ' MET . 3.7 m -63.4 -49.12 75.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.429 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.33 -47.49 85.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 56.7 m -61.49 -34.02 74.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.976 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.49 -42.93 91.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.511 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -66.42 -35.23 79.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -36.57 81.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.428 1.08 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.401 ' HB3' ' NE1' ' A' ' 69' ' ' TRP . . . -68.37 -32.05 71.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 109.235 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.444 ' CE2' HD22 ' A' ' 61' ' ' LEU . 22.0 t80 -64.41 -62.27 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -52.87 -25.29 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.56 -40.03 77.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.407 HG22 ' HB3' ' A' ' 68' ' ' LEU . 13.6 t -74.17 -41.07 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.46 -46.78 87.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -38.43 70.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 12.4 tp -79.96 105.96 11.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.244 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -66.7 123.8 21.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.4 123.33 88.16 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 87.1 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -72.3 141.52 48.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.404 ' O ' ' HB3' ' A' ' 154' ' ' ALA . . . -50.27 139.25 20.74 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.432 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo -74.95 -42.15 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.45 1.763 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' TRP . . . . . 0.792 ' CH2' HD11 ' A' ' 180' ' ' LEU . 16.5 p90 -51.01 -29.09 11.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 108.0 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 151' ' ' GLY . . . -56.75 -32.85 65.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.52 -20.76 39.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.648 HG22 ' CZ ' ' A' ' 167' ' ' PHE . 12.1 mt -80.29 120.34 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.597 ' C ' ' CE2' ' A' ' 167' ' ' PHE . 20.7 m -131.76 125.19 31.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.652 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 0.0 OUTLIER -62.83 129.71 41.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.314 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.418 ' O ' ' NE2' ' A' ' 158' ' ' GLN . . . -107.23 154.24 16.66 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 111.025 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -18.09 19.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 15.4 p -90.73 -20.03 22.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -104.48 135.39 45.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.328 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 35.7 t -57.58 133.35 55.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 168' ' ' ALA . 2.0 t80 -61.4 -33.02 72.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.95 ' CG2' HD11 ' A' ' 223' ' ' LEU . 1.5 t -70.88 -52.96 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -56.28 -48.94 75.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.652 ' CZ ' ' N ' ' A' ' 158' ' ' GLN . 15.5 t80 -64.7 -33.71 76.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 164' ' ' PHE . . . -60.57 -50.24 74.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' ASN . . . . . 0.556 ' HA ' HG12 ' A' ' 172' ' ' ILE . 50.0 m-80 -52.5 -42.12 64.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -57.74 -37.6 73.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.629 HD11 ' HB3' ' A' ' 192' ' ' CYS . 0.3 OUTLIER -67.57 -32.66 73.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.651 HD13 ' N ' ' A' ' 172' ' ' ILE . 1.5 mm -68.2 -48.59 73.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -62.15 -36.63 82.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.401 ' CB ' HD11 ' A' ' 156' ' ' ILE . . . -68.52 -52.48 31.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 0.699 HG13 HD12 ' A' ' 180' ' ' LEU . 41.6 t -57.04 -45.73 84.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.91 -54.35 48.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -44.53 -34.62 3.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.115 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 3.5 p -77.46 166.06 23.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 110.013 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -103.07 56.47 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.792 HD11 ' CH2' ' A' ' 153' ' ' TRP . 14.8 mt -69.02 159.06 84.66 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.668 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.3 Cg_endo -75.01 165.67 30.82 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.428 1.752 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 182' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.1 Cg_endo -75.05 80.42 2.45 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 183' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.5 OUTLIER 159.74 -27.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.527 1.142 . . . . 0.0 109.962 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.668 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -84.07 -12.73 54.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 185' ' ' ARG . . . . . 0.57 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 24.4 mtm180 -87.9 70.53 9.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.875 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 171.54 -56.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 187' ' ' PRO . . . . . 0.875 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -74.96 -37.04 2.23 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 184' ' ' ALA . 89.0 t -58.14 -41.14 79.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.591 HG13 HG21 ' A' ' 175' ' ' VAL . 14.3 mt -63.92 -48.18 87.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 190' ' ' ILE . . . . . 0.596 HG23 HG21 ' A' ' 218' ' ' ILE . 47.7 mt -65.68 -37.35 79.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 191' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 195' ' ' GLN . 0.3 OUTLIER -61.69 -42.58 99.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 192' ' ' CYS . . . . . 0.629 ' HB3' HD11 ' A' ' 171' ' ' LEU . 1.9 m -53.57 -47.78 69.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 108.306 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 193' ' ' PHE . . . . . 0.412 ' HB2' ' O ' ' A' ' 190' ' ' ILE . 17.1 m-30 -55.75 -28.07 54.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 194' ' ' ARG . . . . . 0.511 ' CD ' ' O ' ' A' ' 194' ' ' ARG . 1.1 ppt_? -120.77 30.34 6.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 195' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 191' ' ' ASP . 0.5 OUTLIER -115.63 -56.5 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 196' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 197' ' ' SER . 0.1 OUTLIER -118.03 -43.19 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 197' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 196' ' ' LYS . 0.9 OUTLIER -37.04 155.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 198' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 197' ' ' SER . 1.7 mp0 -41.99 165.06 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -33.61 4.47 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -59.54 -50.36 74.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 8.1 mm -70.2 -41.61 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 202' ' ' GLN . . . . . 0.404 ' OE1' ' C ' ' A' ' 194' ' ' ARG . 3.8 tt0 -61.65 -44.51 96.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -59.97 -30.98 69.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.765 HD13 HG13 ' A' ' 222' ' ' VAL . 0.5 OUTLIER -67.7 -46.67 71.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.499 ' CG2' ' HB3' ' A' ' 194' ' ' ARG . 1.5 mp -65.86 -44.84 92.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -33.88 76.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.34 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -92.93 5.2 52.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 208' ' ' ALA . . . . . 0.509 ' HA ' ' CZ ' ' A' ' 221' ' ' TYR . . . -67.37 158.53 81.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 209' ' ' PRO . . . . . 0.833 ' HD2' HD11 ' A' ' 212' ' ' LEU . 18.2 Cg_endo -75.01 154.06 42.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.5 6.74 22.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 211' ' ' THR . . . . . 0.482 ' O ' ' CG2' ' A' ' 211' ' ' THR . 1.0 OUTLIER -92.97 4.55 53.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 212' ' ' LEU . . . . . 0.833 HD11 ' HD2' ' A' ' 209' ' ' PRO . 1.7 pp -154.27 121.37 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.469 ' C ' ' CD1' ' A' ' 190' ' ' ILE . 1.2 p -140.78 35.84 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.353 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 214' ' ' THR . . . . . 0.483 ' CA ' HD11 ' A' ' 190' ' ' ILE . 3.3 p -121.97 157.72 56.92 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.366 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 57.81 4.69 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -160.83 -52.59 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -74.67 -39.23 62.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 218' ' ' ILE . . . . . 0.601 HD13 ' CD1' ' A' ' 212' ' ' LEU . 15.5 mm -58.58 -37.28 64.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 219' ' ' ILE . . . . . 0.416 HG21 HG22 ' A' ' 165' ' ' VAL . 15.1 mt -71.94 -50.79 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 220' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 221' ' ' TYR . 0.0 OUTLIER -56.38 -33.32 65.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.723 ' CE2' HD22 ' A' ' 204' ' ' LEU . 1.3 t80 -74.76 -46.91 34.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.765 HG13 HD13 ' A' ' 204' ' ' LEU . 8.6 t -60.68 -51.27 75.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.95 HD11 ' CG2' ' A' ' 165' ' ' VAL . 67.4 mt -59.85 -36.03 76.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -71.48 -24.34 61.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 225' ' ' ARG . . . . . 0.488 ' CB ' HD21 ' A' ' 204' ' ' LEU . 2.1 ttm180 -92.32 -10.44 38.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 226' ' ' GLN . . . . . 0.507 ' NE2' HD23 ' A' ' 223' ' ' LEU . 38.4 mt-30 -67.4 -53.76 26.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? 172.61 -40.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 228' ' ' ILE . . . . . 0.549 ' O ' ' HB2' ' A' ' 229' ' ' ALA . 4.7 mt 73.36 -60.81 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 229' ' ' ALA . . . . . 0.887 ' HB3' ' HD3' ' A' ' 230' ' ' PRO . . . 172.29 -56.2 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.36 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 230' ' ' PRO . . . . . 0.887 ' HD3' ' HB3' ' A' ' 229' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.515 1.798 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.2 m0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 2.7 m -102.83 133.38 20.43 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 12' ' ' THR . 18.3 Cg_endo -74.98 145.9 32.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 14' ' ' LEU . 5.1 tt -61.91 98.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.17 138.59 39.44 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -41.64 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 111.025 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 27.7 pttt -64.43 -47.23 79.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 15.4 mt -59.16 -37.05 76.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.483 HG23 ' CD1' ' A' ' 56' ' ' LEU . 4.5 mt -65.87 -37.26 79.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.5 m -61.34 -40.6 94.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.415 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -61.34 -48.55 80.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.627 HD23 ' HG2' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -66.41 -36.52 83.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.96 76.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.854 ' O ' HG23 ' A' ' 28' ' ' THR . 0.1 OUTLIER -65.02 -45.47 85.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.453 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.7 m -59.04 -39.24 81.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.603 HG13 ' OG1' ' A' ' 36' ' ' THR . 12.1 t -59.01 -45.79 92.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -66.75 -48.63 68.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.854 HG23 ' O ' ' A' ' 24' ' ' ASP . 35.0 p -68.35 -18.81 64.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.431 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.525 ' HB3' HG21 ' A' ' 35' ' ' ILE . 25.9 mmtt -95.18 -14.55 24.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.51 126.49 4.66 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.403 ' CD2' HG12 ' A' ' 26' ' ' VAL . 2.6 mm? -67.83 -40.01 83.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -88.33 2.52 52.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.349 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 1.4 t -93.47 155.54 40.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.036 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -74.94 102.83 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.525 HG21 ' HB3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER 164.39 -30.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.603 ' OG1' HG13 ' A' ' 26' ' ' VAL . 11.6 m -59.2 -48.28 82.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.434 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.93 -36.91 85.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 111.057 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.6 -52.2 41.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.627 ' HG2' HD23 ' A' ' 22' ' ' LEU . 2.5 mt-10 -60.17 -46.31 90.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 36' ' ' THR . 55.5 t -62.77 -41.09 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.462 ' HG3' ' CD2' ' A' ' 137' ' ' LEU . 12.5 mt-10 -68.26 -25.09 64.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -65.01 -54.23 33.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.701 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -72.14 -46.0 58.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' MET . . . . . 1.019 ' SD ' HD21 ' A' ' 48' ' ' LEU . 0.8 OUTLIER -71.38 -10.86 60.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 41' ' ' GLU . 51.4 p -37.16 -32.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' MET . 1.3 p -106.25 165.42 13.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.994 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 118.99 5.47 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.019 HD21 ' SD ' ' A' ' 44' ' ' MET . 0.4 OUTLIER -108.13 -176.75 3.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.841 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -87.86 164.37 34.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.442 ' HB3' HD13 ' A' ' 132' ' ' ILE . 18.4 Cg_endo -74.95 -41.89 0.6 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -68.16 -40.93 82.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.583 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.9 -34.61 78.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.841 HG23 ' O ' ' A' ' 49' ' ' LEU . 4.9 t -54.88 -46.14 75.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.492 ' HB ' ' CE ' ' A' ' 70' ' ' MET . 27.1 p -66.52 -39.88 88.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.673 ' O ' HG23 ' A' ' 59' ' ' VAL . 7.4 t-20 -65.19 -40.23 93.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.701 HD21 ' CD1' ' A' ' 43' ' ' LEU . 12.2 tp -69.84 -52.11 27.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.445 ' HG2' ' CE2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -56.84 -44.51 82.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 111.005 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' A' ' 61' ' ' LEU . 50.7 ttt85 -56.4 -36.63 69.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.152 . . . . 0.0 110.304 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 55' ' ' ASN . 94.2 t -75.49 -34.88 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.467 ' HB ' HD23 ' A' ' 61' ' ' LEU . 7.8 mt -73.43 -44.17 54.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.665 HD22 ' CE1' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -122.58 136.31 54.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.432 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -50.0 -176.15 0.02 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -19.88 17.56 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.457 1.767 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.963 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.01 -60.22 2.98 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.963 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.98 -0.25 9.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.557 ' CZ ' ' SD ' ' A' ' 70' ' ' MET . 3.1 t80 -77.5 -42.82 34.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.83 -29.66 70.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.759 ' HB3' HG22 ' A' ' 143' ' ' VAL . 7.8 mp -67.51 -41.39 84.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.727 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 22.9 t90 -68.15 -38.78 82.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.031 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.557 ' SD ' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -60.65 -43.74 97.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -65.63 -43.38 89.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.48 -30.66 67.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.727 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 11.9 t90 -68.14 -40.62 82.38 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.85 -45.7 95.35 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.2 t -68.0 -46.89 80.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 0.744 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.456 ' O ' HG22 ' A' ' 79' ' ' THR . 86.7 mm-40 -56.44 -46.29 80.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.775 ' CD2' HD13 ' A' ' 106' ' ' LEU . 2.7 mt -61.78 -38.67 88.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.527 ' HG3' HD21 ' A' ' 103' ' ' LEU . 25.1 mt-30 -67.85 -29.9 69.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.549 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -65.72 -35.55 81.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.435 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.1 t -71.57 -50.96 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 1.036 HD13 HD12 ' A' ' 103' ' ' LEU . 0.9 OUTLIER -59.41 -49.42 83.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.18 -43.8 97.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 79' ' ' THR . . . -56.66 -47.32 80.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.488 ' HB2' ' CB ' ' A' ' 90' ' ' HIS . . . -65.95 -41.42 91.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.2 m -59.77 -36.67 77.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -74.57 -33.09 62.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 110.261 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.446 ' HB2' ' CD ' ' A' ' 89' ' ' ARG . 0.6 OUTLIER -135.01 114.93 11.9 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 55.49 3.92 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.787 . . . . 0.0 111.023 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.446 ' CD ' ' HB2' ' A' ' 87' ' ' ASP . 10.7 ptt85 -138.49 16.15 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.241 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.488 ' CB ' ' HB2' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -92.07 139.67 24.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.579 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -19.64 17.72 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.464 1.771 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.467 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -59.37 -26.83 65.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 90' ' ' HIS . 29.6 p30 -90.86 154.64 19.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 93' ' ' ASN . . . -58.17 -154.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -141.19 12.64 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 110.332 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.428 ' C ' ' OE1' ' A' ' 99' ' ' GLU . . . -79.91 -159.96 19.74 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' ' 97' ' ' ARG . 6.0 ttm105 -96.47 0.28 50.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 0.801 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -172.99 66.3 0.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 100' ' ' ARG . 2.7 pm0 -82.87 -87.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 99' ' ' GLU . 2.4 tpp85 83.64 109.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.705 HG23 HG13 ' A' ' 81' ' ' ILE . 1.8 t -72.61 170.14 15.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.396 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -157.31 154.43 29.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 1.036 HD12 HD13 ' A' ' 81' ' ' ILE . 2.4 mp -63.66 -34.42 77.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.112 . . . . 0.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.43 -38.79 92.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -61.19 -47.04 87.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.775 HD13 ' CD2' ' A' ' 77' ' ' LEU . 31.5 mt -70.61 -31.72 68.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.94 -65.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.2 -6.44 5.68 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.461 ' HA ' HG22 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -82.92 5.21 22.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.876 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -59.89 163.87 4.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -70.64 133.32 46.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.157 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 79.93 -3.56 69.83 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.931 ' HE1' HD21 ' A' ' 124' ' ' LEU . 90.1 mtp -103.02 -24.72 13.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 0.758 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 110' ' ' ALA . 1.5 t -80.2 124.71 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.45 -1.11 68.92 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -137.18 98.69 10.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.422 0.719 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.401 ' O ' ' HG2' ' A' ' 120' ' ' GLN . 18.6 Cg_endo -74.95 -46.34 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.487 1.783 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -76.99 -28.79 55.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -75.97 -42.8 23.94 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.482 1.113 . . . . 0.0 111.024 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.428 ' HB2' ' CE ' ' A' ' 113' ' ' MET . 18.5 pt20 -66.07 -40.98 91.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 0.72 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.56 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -61.18 -41.01 96.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.23 -14.91 59.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.366 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.436 ' CD2' ' O ' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -82.4 -35.42 27.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.931 HD21 ' HE1' ' A' ' 113' ' ' MET . 5.0 mt -75.5 -16.89 60.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.59 ' CG ' ' O ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER 81.44 158.16 0.12 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.434 ' N ' ' HD3' ' A' ' 125' ' ' ARG . 18.3 Cg_endo -74.99 107.78 2.57 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 142.76 -37.41 1.53 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.467 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 4.5 mt-10 -65.78 -38.79 89.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.741 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.84 -40.35 94.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.8 t -59.29 -39.67 79.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.68 -39.74 81.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.251 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.442 HD13 ' HB3' ' A' ' 50' ' ' PRO . 28.6 mt -69.07 -38.59 78.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.712 HG23 ' SD ' ' A' ' 44' ' ' MET . 4.5 m -65.52 -48.4 72.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.375 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.76 -45.73 91.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.0 m -64.24 -35.88 82.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.13 85.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.462 ' CD2' ' HG3' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -68.14 -33.03 73.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -71.68 -43.32 66.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.86 -33.04 73.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.665 ' CE1' HD22 ' A' ' 61' ' ' LEU . 6.8 t80 -66.49 -58.52 5.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -53.46 -25.14 15.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.71 -42.16 70.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.759 HG22 ' HB3' ' A' ' 68' ' ' LEU . 3.3 t -67.82 -42.87 86.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -65.55 -47.24 76.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.31 -40.91 65.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.15 179.32 7.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.03 168.34 12.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -114.32 113.5 45.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.67 11.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.792 . . . . 0.0 111.059 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -103.77 126.5 50.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.476 ' O ' ' HB3' ' A' ' 154' ' ' ALA . . . 67.52 105.43 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.467 1.105 . . . . 0.0 111.062 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.553 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.2 Cg_endo -74.96 -45.73 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' TRP . . . . . 0.717 ' CH2' HD11 ' A' ' 180' ' ' LEU . 44.9 p90 -58.12 -24.42 58.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 107.961 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 151' ' ' GLY . . . -63.15 -32.69 74.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.73 -19.88 47.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.633 HG22 ' CE1' ' A' ' 167' ' ' PHE . 8.3 mt -87.02 120.75 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.6 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 3.3 p -130.99 132.04 44.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.383 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.648 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 48.6 tp60 -64.69 130.13 42.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -125.17 162.82 19.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -27.32 10.09 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.794 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 4.3 t -69.79 -27.77 65.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -107.67 135.59 48.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.445 ' CB ' ' HB2' ' A' ' 166' ' ' ASP . 0.1 OUTLIER -57.47 142.65 43.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.933 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.59 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.9 OUTLIER -56.0 -52.15 65.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 1.075 HG23 HG21 ' A' ' 219' ' ' ILE . 0.6 OUTLIER -67.43 -38.22 80.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.445 ' HB2' ' CB ' ' A' ' 163' ' ' SER . 0.7 OUTLIER -60.67 -48.36 82.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.648 ' CZ ' ' N ' ' A' ' 158' ' ' GLN . 60.1 t80 -65.96 -39.88 90.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.534 ' HB1' ' CZ ' ' A' ' 193' ' ' PHE . . . -56.51 -39.11 72.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 169' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 165' ' ' VAL . 41.2 m-80 -62.15 -49.84 74.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -58.64 -37.84 76.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.505 HD23 HG23 ' A' ' 175' ' ' VAL . 3.7 tt -70.12 -45.19 67.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.447 HG12 HD13 ' A' ' 189' ' ' ILE . 17.2 mt -60.29 -41.02 85.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -63.12 -36.81 84.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.514 ' CB ' HD11 ' A' ' 156' ' ' ILE . . . -68.9 -52.26 31.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 0.755 HG21 HG13 ' A' ' 189' ' ' ILE . 46.3 t -57.23 -48.06 83.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -53.66 -38.51 64.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -99.84 32.42 7.27 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 15.7 p -119.78 166.14 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 0.788 . . . . 0.0 109.992 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -89.38 83.27 6.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.717 HD11 ' CH2' ' A' ' 153' ' ' TRP . 15.8 mt -128.2 158.88 69.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.535 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.3 Cg_endo -75.02 160.93 39.51 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.547 1.814 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 182' ' ' PRO . . . . . 0.427 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.4 Cg_endo -74.95 78.05 2.97 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.473 1.775 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 183' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 1.0 OUTLIER 164.96 -33.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.535 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -78.65 -10.63 59.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 185' ' ' ARG . . . . . 0.492 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 30.0 mtm105 -83.19 69.12 9.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.9 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 175.2 -56.98 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 187' ' ' PRO . . . . . 0.9 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.4 Cg_endo -74.96 -26.5 10.93 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 79.6 t -69.62 -37.59 74.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.755 HG13 HG21 ' A' ' 175' ' ' VAL . 7.7 mt -68.1 -47.28 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 190' ' ' ILE . . . . . 0.934 HD11 ' C ' ' A' ' 214' ' ' THR . 74.9 mt -66.3 -35.25 74.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -59.6 -37.63 79.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 17.6 m -64.94 -46.26 82.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 108.305 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 193' ' ' PHE . . . . . 0.534 ' CZ ' ' HB1' ' A' ' 168' ' ' ALA . 11.6 m-30 -54.02 -38.42 65.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 194' ' ' ARG . . . . . 0.621 ' HB3' HG21 ' A' ' 205' ' ' ILE . 9.4 ptt180 -95.83 7.03 47.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -86.19 -40.94 15.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.265 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 196' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 197' ' ' SER . 5.4 mtpp -139.84 -89.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 197' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 196' ' ' LYS . 2.0 m 38.7 -158.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 198' ' ' GLN . . . . . 0.456 ' O ' ' CB ' ' A' ' 202' ' ' GLN . 2.6 mp0 -94.04 171.5 6.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -38.55 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.522 1.801 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -64.4 -50.26 68.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 33.1 mm -68.38 -35.7 71.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 202' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 198' ' ' GLN . 0.7 OUTLIER -70.07 -42.87 72.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -62.87 -32.05 73.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.931 HD21 ' HG3' ' A' ' 225' ' ' ARG . 0.4 OUTLIER -70.53 -49.35 49.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.621 HG21 ' HB3' ' A' ' 194' ' ' ARG . 3.5 mt -63.02 -39.07 83.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.98 -33.88 76.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -89.22 2.88 53.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 208' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -68.11 154.78 93.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 209' ' ' PRO . . . . . 0.457 ' HD2' HD11 ' A' ' 212' ' ' LEU . 18.2 Cg_endo -75.05 151.0 38.77 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.77 15.29 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.24 -8.66 38.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.16 . . . . 0.0 110.417 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 212' ' ' LEU . . . . . 0.758 ' O ' HG23 ' A' ' 213' ' ' THR . 0.2 OUTLIER -139.08 148.74 43.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.758 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.3 p -161.54 46.95 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.378 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 214' ' ' THR . . . . . 0.94 HG23 ' HD2' ' A' ' 215' ' ' PRO . 1.3 m -122.55 150.83 58.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.4 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 215' ' ' PRO . . . . . 0.94 ' HD2' HG23 ' A' ' 214' ' ' THR . 18.0 Cg_endo -74.99 52.65 3.11 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.784 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -150.02 -60.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -75.72 -34.03 60.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 218' ' ' ILE . . . . . 0.597 HD12 HD13 ' A' ' 212' ' ' LEU . 1.2 mp -59.51 -46.62 92.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 219' ' ' ILE . . . . . 1.075 HG21 HG23 ' A' ' 165' ' ' VAL . 2.6 mt -72.34 -43.44 64.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -32.81 69.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.411 ' CZ ' HD23 ' A' ' 204' ' ' LEU . 3.5 t80 -74.43 -50.64 17.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.977 HG12 ' OE1' ' A' ' 226' ' ' GLN . 24.1 t -60.36 -40.93 85.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.672 HD23 ' OE1' ' A' ' 226' ' ' GLN . 31.2 mt -68.45 -43.33 77.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -64.58 -21.93 66.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 225' ' ' ARG . . . . . 0.931 ' HG3' HD21 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -83.22 -44.94 14.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.341 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 226' ' ' GLN . . . . . 0.977 ' OE1' HG12 ' A' ' 222' ' ' VAL . 6.3 mt-30 -56.13 -43.34 78.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.566 ' HE2' ' HB3' ' A' ' 229' ' ' ALA . 0.0 OUTLIER -71.45 110.74 6.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 3.1 mp -81.62 -63.48 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 229' ' ' ALA . . . . . 0.566 ' HB3' ' HE2' ' A' ' 227' ' ' LYS . . . -49.44 155.35 1.32 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 110.996 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.6 m95 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.52 HG23 ' HD2' ' A' ' 13' ' ' PRO . 2.6 m -105.39 140.97 21.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.52 ' HD2' HG23 ' A' ' 12' ' ' THR . 18.4 Cg_endo -74.95 145.39 31.57 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.695 HD11 HD11 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -62.34 131.55 49.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.466 ' CD ' HD12 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -84.67 118.31 70.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 20' ' ' THR . 18.4 Cg_endo -75.02 -25.22 12.03 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 62.4 pttt -57.66 -45.96 84.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.466 HD12 ' CD ' ' A' ' 15' ' ' GLU . 16.1 mt -63.16 -47.93 80.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.695 HD11 HD11 ' A' ' 14' ' ' LEU . 10.3 mt -63.57 -36.83 77.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 16' ' ' PRO . 35.5 m -60.21 -37.86 81.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 110.37 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -64.25 -48.57 75.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.436 ' CD2' ' HG3' ' A' ' 39' ' ' GLU . 1.8 mt -66.03 -40.02 90.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.355 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.529 ' HB2' HG12 ' A' ' 60' ' ' ILE . . . -65.72 -33.11 75.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 28' ' ' THR . 0.2 OUTLIER -61.95 -37.74 85.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -67.07 -37.37 83.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.425 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.764 ' CG1' HG23 ' A' ' 36' ' ' THR . 91.5 t -58.01 -46.43 87.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -48.87 79.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 24' ' ' ASP . 64.8 p -65.91 -32.6 74.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.435 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.745 ' CB ' HG21 ' A' ' 35' ' ' ILE . 10.4 mmtt -84.84 -13.36 51.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 89.21 123.95 2.37 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.132 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.481 HD12 HG12 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -67.25 -31.22 71.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.763 . . . . 0.0 109.329 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -93.37 2.16 56.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.73 161.25 25.64 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 35' ' ' ILE . 18.1 Cg_endo -75.01 106.41 2.27 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.745 HG21 ' CB ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER 163.94 -29.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.764 HG23 ' CG1' ' A' ' 26' ' ' VAL . 81.4 m -58.59 -48.77 79.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.375 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -33.22 75.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.27 -52.22 24.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.567 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -61.13 -47.16 87.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 36' ' ' THR . 64.7 t -59.81 -46.75 93.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.596 ' HG3' HD21 ' A' ' 137' ' ' LEU . 33.3 mt-10 -59.74 -24.27 63.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -67.41 -55.78 12.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.796 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -71.7 -43.64 65.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.515 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 29.2 mtt -74.25 -10.82 59.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 44' ' ' MET . 11.6 t -35.75 -41.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.932 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p -101.29 165.16 14.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.0 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 149.62 36.73 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.478 ' H ' HD12 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -148.77 174.04 12.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.72 ' O ' HG23 ' A' ' 53' ' ' VAL . 16.0 mt -80.19 161.56 64.86 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.612 ' O ' HG23 ' A' ' 54' ' ' THR . 18.4 Cg_endo -74.93 -26.36 11.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.52 1.8 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -67.63 -50.28 58.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.604 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -63.65 -32.33 73.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 49' ' ' LEU . 6.9 t -53.95 -46.38 64.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 50' ' ' PRO . 22.9 p -67.03 -37.35 83.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.388 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.402 ' O ' HG23 ' A' ' 59' ' ' VAL . 10.3 t-20 -63.84 -44.01 94.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.796 HD21 ' CD1' ' A' ' 43' ' ' LEU . 11.6 tp -69.97 -50.83 37.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.999 ' O ' HD12 ' A' ' 61' ' ' LEU . 19.3 mmt -57.46 -31.04 65.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.045 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.429 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 0.3 OUTLIER -69.23 -36.5 77.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 55' ' ' ASN . 54.0 t -71.19 -41.44 75.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.529 HG12 ' HB2' ' A' ' 23' ' ' ALA . 32.6 mt -76.0 -44.13 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.999 HD12 ' O ' ' A' ' 57' ' ' MET . 0.1 OUTLIER -113.78 128.79 56.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.487 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -60.86 -167.3 0.36 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.432 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.0 -22.62 14.63 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.451 1.764 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.938 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.46 -58.13 3.97 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.938 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.97 5.14 4.14 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.432 ' HB2' ' HA ' ' A' ' 63' ' ' PRO . 1.2 t80 -76.55 -47.68 21.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.3 -29.83 70.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.706 ' HB3' HG22 ' A' ' 143' ' ' VAL . 6.0 mp -69.0 -45.37 70.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.734 ' CZ3' ' CE3' ' A' ' 73' ' ' TRP . 35.1 t90 -71.0 -35.96 72.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 107.995 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -35.05 77.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -71.06 -46.74 61.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.41 -44.92 73.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.734 ' CE3' ' CZ3' ' A' ' 69' ' ' TRP . 19.0 t90 -52.37 -42.58 64.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 108.015 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.18 -41.17 98.09 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.6 t -68.04 -46.88 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -61.81 -37.32 83.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.795 ' CD2' HD13 ' A' ' 106' ' ' LEU . 3.1 mt -70.84 -37.24 73.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.518 ' HA ' HD13 ' A' ' 103' ' ' LEU . 46.5 mt-30 -69.59 -41.22 76.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -33.9 76.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.61 -45.97 93.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.572 HG13 HG23 ' A' ' 101' ' ' THR . 0.4 OUTLIER -69.6 -47.87 68.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.6 -48.81 76.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.49 -47.45 79.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 87' ' ' ASP . . . -59.46 -48.62 80.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 m -58.71 -30.29 67.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.5 ttt85 -75.58 -36.48 60.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 84' ' ' ALA . 7.1 t0 -135.87 120.15 13.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 55.49 3.95 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.27 13.35 3.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.448 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -90.2 137.52 27.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.594 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -75.0 -21.79 15.48 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.529 1.805 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.446 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -62.29 -23.35 66.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 90' ' ' HIS . 16.5 p30 -97.49 154.38 17.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 132.2 112.52 1.41 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -147.67 -57.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 110.313 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -152.57 -124.91 1.08 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.6 ttm-85 -78.61 -0.18 28.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -100.0 -54.46 1.04 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 57.13 46.19 19.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.77 . . . . 0.0 110.29 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.33 123.82 41.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.572 HG23 HG13 ' A' ' 81' ' ' ILE . 6.3 t -70.89 163.57 27.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -144.2 145.83 32.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.545 HD12 HD13 ' A' ' 81' ' ' ILE . 4.8 tp -65.91 -46.7 77.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.478 ' HA ' ' CG ' ' A' ' 107' ' ' LYS . 0.8 OUTLIER -53.94 -40.05 66.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.8 mmt-85 -53.71 -36.01 61.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.165 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.795 HD13 ' CD2' ' A' ' 77' ' ' LEU . 13.6 mt -88.25 -24.6 23.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.478 ' CG ' ' HA ' ' A' ' 104' ' ' ASP . 22.5 mmtp -51.03 -42.68 60.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 115.09 22.48 4.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.9 tp -108.51 7.0 26.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.489 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -57.36 155.33 9.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -55.28 121.84 9.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 116' ' ' ASN . . . 87.25 -18.52 36.42 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.49 ' CG ' ' HG3' ' A' ' 120' ' ' GLN . 1.6 ttt -62.62 -32.95 74.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 0.762 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.86 123.07 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 94.43 3.35 63.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 112' ' ' GLY . 9.2 p-10 176.89 86.96 0.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.484 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.0 -36.46 2.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -55.7 -56.75 16.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.14 -31.73 66.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.936 ' OE1' HD22 ' A' ' 123' ' ' LEU . 0.2 OUTLIER -66.44 -41.6 88.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 0.0 110.296 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.25 86.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.68 -13.05 60.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.936 HD22 ' OE1' ' A' ' 120' ' ' GLN . 0.1 OUTLIER -76.63 -37.46 56.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.841 ' N ' HD23 ' A' ' 123' ' ' LEU . 2.0 pp -112.77 147.9 35.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.433 ' HB2' ' HD2' ' A' ' 126' ' ' PRO . 0.0 OUTLIER -76.15 172.44 9.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.341 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 125' ' ' ARG . 18.2 Cg_endo -75.03 108.79 2.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.79 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -179.66 -54.6 0.08 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.446 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 15.6 mt-10 -65.72 -31.23 72.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.681 ' HA ' HD12 ' A' ' 132' ' ' ILE . 3.5 mt -65.6 -43.3 90.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.62 -39.86 77.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.37 80.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.681 HD12 ' HA ' ' A' ' 129' ' ' LEU . 13.5 mt -69.97 -37.53 72.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.506 HG22 ' HB3' ' A' ' 44' ' ' MET . 1.2 m -66.24 -49.57 66.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.55 -48.39 79.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 68.2 p -64.48 -33.66 76.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 132' ' ' ILE . . . -67.86 -43.62 79.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.596 HD21 ' HG3' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -61.22 -37.94 84.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.91 -33.39 74.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.64 -33.62 75.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.564 ' CE1' HG21 ' A' ' 36' ' ' THR . 1.1 t80 -73.79 -53.5 10.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 141' ' ' ARG . 0.0 OUTLIER -56.53 -27.53 57.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.334 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.466 ' N ' ' HD3' ' A' ' 141' ' ' ARG . 5.1 tp10 -74.71 -39.59 61.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.706 HG22 ' HB3' ' A' ' 68' ' ' LEU . 8.9 t -73.21 -43.51 57.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -57.93 -42.94 85.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.79 -22.21 58.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 18.8 tp -107.64 89.72 3.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -135.16 -62.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.02 116.19 61.94 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 57.1 4.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.27 143.76 53.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -76.75 146.87 33.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.553 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.5 Cg_endo -74.98 -39.97 1.05 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' TRP . . . . . 0.732 ' CH2' HD11 ' A' ' 180' ' ' LEU . 38.7 p90 -51.16 -29.3 13.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 108.02 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -60.99 -33.22 72.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 152' ' ' PRO . 0.8 OUTLIER -81.59 -22.16 37.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.916 HG22 ' CE1' ' A' ' 167' ' ' PHE . 21.9 mt -73.15 120.74 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.2 p -130.82 133.57 46.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.35 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.568 ' HB3' ' CD2' ' A' ' 167' ' ' PHE . 0.0 OUTLIER -100.46 130.05 46.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.337 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -95.79 176.96 33.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.416 ' HA ' ' OE1' ' A' ' 198' ' ' GLN . 18.4 Cg_endo -75.0 -17.79 19.24 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 84.1 p -107.75 18.71 21.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -116.81 135.27 53.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.88 131.22 50.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.722 ' CE2' HG23 ' A' ' 219' ' ' ILE . 1.5 t80 -70.2 -43.35 70.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.593 HG22 HG21 ' A' ' 219' ' ' ILE . 2.3 t -67.17 -47.94 80.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -56.31 -47.49 78.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.916 ' CE1' HG22 ' A' ' 156' ' ' ILE . 80.7 t80 -64.99 -33.57 76.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.654 ' O ' HD12 ' A' ' 172' ' ' ILE . . . -63.45 -32.86 74.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -68.7 -48.74 63.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 19.2 mtp85 -61.92 -37.15 83.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.875 HD12 ' CE2' ' A' ' 167' ' ' PHE . 1.0 OUTLIER -70.86 -49.73 42.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.654 HD12 ' O ' ' A' ' 168' ' ' ALA . 17.9 mt -57.76 -42.09 81.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -35.18 79.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.422 ' HB2' HD11 ' A' ' 156' ' ' ILE . . . -68.27 -52.03 38.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 0.641 HG13 HD12 ' A' ' 180' ' ' LEU . 39.1 t -58.33 -42.78 84.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -61.35 -56.12 24.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -59.25 -23.33 57.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.153 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.8 p -74.95 165.95 24.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -103.03 56.52 0.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.732 HD11 ' CH2' ' A' ' 153' ' ' TRP . 14.3 mt -78.89 162.3 65.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.638 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.4 Cg_endo -75.01 164.08 34.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.778 . . . . 0.0 111.057 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 182' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.3 Cg_endo -74.99 80.47 2.42 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 111.034 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 183' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.7 OUTLIER 159.9 -27.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.034 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.638 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -84.11 -11.71 56.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 185' ' ' ARG . . . . . 0.617 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 7.9 mtm180 -86.69 70.98 10.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.901 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 167.97 -56.62 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 187' ' ' PRO . . . . . 0.901 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -75.02 -30.62 6.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.503 HG21 ' HB1' ' A' ' 184' ' ' ALA . 79.5 t -64.9 -43.97 96.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.624 HG13 HG21 ' A' ' 175' ' ' VAL . 29.0 mt -63.19 -47.64 91.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 190' ' ' ILE . . . . . 0.726 HD11 ' C ' ' A' ' 214' ' ' THR . 74.9 mt -66.11 -45.77 89.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -58.74 -36.97 75.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 7.2 m -56.78 -48.72 77.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 108.313 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 193' ' ' PHE . . . . . 0.4 ' N ' ' CD1' ' A' ' 193' ' ' PHE . 11.0 m-30 -54.28 -35.71 62.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 194' ' ' ARG . . . . . 0.455 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 0.0 OUTLIER -105.75 20.57 18.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.288 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -102.68 -46.3 4.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.36 63.76 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.163 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 197' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.68 -177.8 4.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.969 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 198' ' ' GLN . . . . . 0.416 ' OE1' ' HA ' ' A' ' 160' ' ' PRO . 2.2 mp0 -52.3 157.82 2.19 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.323 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -35.71 2.97 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -65.55 -47.23 76.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.477 ' O ' HD12 ' A' ' 205' ' ' ILE . 11.6 mm -69.38 -38.87 78.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.05 -45.96 69.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -60.42 -31.11 70.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.894 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.4 OUTLIER -70.3 -47.92 58.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 201' ' ' ILE . 0.7 OUTLIER -63.59 -40.16 88.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -33.99 77.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -91.33 5.08 50.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 208' ' ' ALA . . . . . 0.488 ' HA ' ' CE2' ' A' ' 221' ' ' TYR . . . -61.71 154.92 63.94 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 209' ' ' PRO . . . . . 0.692 ' HB2' HG22 ' A' ' 211' ' ' THR . 18.2 Cg_endo -75.06 155.17 42.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.53 1.805 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.94 17.31 5.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.05 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 211' ' ' THR . . . . . 0.692 HG22 ' HB2' ' A' ' 209' ' ' PRO . 9.2 t -102.59 -6.87 22.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 212' ' ' LEU . . . . . 0.75 ' O ' HG23 ' A' ' 213' ' ' THR . 0.5 OUTLIER -145.49 143.46 30.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.4 p -161.19 45.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.354 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 214' ' ' THR . . . . . 0.726 ' C ' HD11 ' A' ' 190' ' ' ILE . 31.4 p -121.83 157.74 56.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 55.56 4.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.494 1.787 . . . . 0.0 111.005 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -158.79 -56.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.562 1.164 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -74.2 -31.66 62.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 0.0 110.313 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 218' ' ' ILE . . . . . 0.524 HG12 HD13 ' A' ' 190' ' ' ILE . 1.4 mp -63.51 -39.42 85.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 219' ' ' ILE . . . . . 0.722 HG23 ' CE2' ' A' ' 164' ' ' PHE . 6.7 mt -73.41 -49.4 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.65 -42.75 75.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.561 ' CZ ' HD23 ' A' ' 204' ' ' LEU . 2.5 t80 -64.96 -45.21 86.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.503 ' HA ' HD22 ' A' ' 204' ' ' LEU . 3.2 t -60.49 -47.83 91.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.568 HD11 ' CG2' ' A' ' 165' ' ' VAL . 70.7 mt -62.67 -38.03 88.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -63.38 -43.27 98.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 225' ' ' ARG . . . . . 0.894 ' HB3' HD11 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -69.74 -40.32 76.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -51.97 -53.0 46.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 49.7 tttt -53.57 131.27 38.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 9.8 tt -174.08 140.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.249 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . -146.63 153.51 47.11 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.368 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.453 1.765 . . . . 0.0 111.001 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.1 t90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -132.78 132.09 22.38 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 110.408 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 131.32 14.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.63 99.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.354 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 1.6 tp10 -110.36 132.5 21.48 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 15' ' ' GLU . 18.3 Cg_endo -75.02 -30.8 6.75 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.501 1.79 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -46.51 63.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.6 mt -69.39 -46.82 65.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.574 HG23 ' CD1' ' A' ' 56' ' ' LEU . 37.7 mt -58.14 -36.75 58.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.1 m -67.27 -39.4 86.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -67.26 -49.28 65.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.659 HD23 ' CD ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -66.52 -42.36 87.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.432 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -63.9 -31.83 73.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.849 ' O ' HG23 ' A' ' 28' ' ' THR . 13.0 t70 -61.43 -47.35 86.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 29' ' ' LYS . 1.2 m -61.99 -37.31 84.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.679 HG13 ' CG2' ' A' ' 36' ' ' THR . 2.6 t -58.27 -45.2 89.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -67.42 -48.99 65.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.849 HG23 ' O ' ' A' ' 24' ' ' ASP . 31.1 p -68.23 -19.31 64.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 33' ' ' SER . 18.5 mmtt -95.23 -14.56 23.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.01 131.6 0.27 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.685 HD23 ' N ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -67.58 -17.72 64.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 0.734 . . . . 0.0 109.328 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.83 2.85 50.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 8.0 t -101.92 145.82 31.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.004 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 54.7 3.7 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.434 HD12 ' HD2' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -141.18 -41.3 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.679 ' CG2' HG13 ' A' ' 26' ' ' VAL . 2.6 m -57.11 -42.55 81.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.77 ' SD ' HD23 ' A' ' 137' ' ' LEU . 0.4 OUTLIER -61.45 -44.36 97.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.75 -43.88 74.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.659 ' CD ' HD23 ' A' ' 22' ' ' LEU . 1.9 mt-10 -59.73 -47.56 85.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 36' ' ' THR . 42.9 t -61.36 -45.92 97.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.764 ' HG3' HD22 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -63.75 -23.94 67.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -64.37 -55.35 21.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.62 HD11 HD21 ' A' ' 56' ' ' LEU . 1.2 pp -72.7 -44.53 61.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.764 ' SD ' HG23 ' A' ' 133' ' ' THR . 0.6 OUTLIER -72.73 -9.08 58.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 111.018 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 41' ' ' GLU . 8.6 t -37.82 -31.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 44' ' ' MET . 1.3 p -102.12 165.24 14.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.047 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 140.2 25.04 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.876 HD13 HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -138.62 174.54 10.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.755 ' O ' HG23 ' A' ' 53' ' ' VAL . 11.6 mt -83.42 161.18 57.61 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.659 ' O ' HG23 ' A' ' 54' ' ' THR . 18.3 Cg_endo -75.01 -31.18 6.4 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -66.67 -52.09 48.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.605 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.468 ' OD2' ' N ' ' A' ' 49' ' ' LEU . 1.6 p30 -63.99 -31.75 73.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.876 HG23 HD13 ' A' ' 48' ' ' LEU . 2.3 t -53.58 -46.75 60.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.659 HG23 ' O ' ' A' ' 50' ' ' PRO . 24.8 p -66.91 -41.12 87.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -58.54 -44.03 89.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.62 HD21 HD11 ' A' ' 43' ' ' LEU . 13.1 tp -68.4 -48.28 65.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.998 ' O ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -58.32 -30.57 66.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' A' ' 61' ' ' LEU . 7.3 ttt180 -69.94 -36.16 75.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.62 -39.31 75.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.451 ' CG2' HG11 ' A' ' 26' ' ' VAL . 12.9 mt -79.11 -44.09 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.998 HD12 ' O ' ' A' ' 57' ' ' MET . 0.1 OUTLIER -117.35 136.22 53.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.609 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -67.32 -169.59 4.23 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.5 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.1 Cg_endo -75.03 -19.2 18.0 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.863 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -68.96 -55.99 9.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.863 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.07 -20.04 17.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.509 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 0.6 OUTLIER -53.0 -43.82 66.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 111.043 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.27 -35.39 80.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.704 ' HB3' HG22 ' A' ' 143' ' ' VAL . 7.0 mp -69.73 -42.89 73.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.645 ' CH2' ' CE3' ' A' ' 73' ' ' TRP . 27.2 t90 -71.29 -38.71 71.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 108.013 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.0 mmt -66.72 -35.55 80.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -71.15 -45.45 63.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.78 -34.92 74.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.645 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 18.2 t90 -66.3 -41.22 90.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.022 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.2 -49.43 75.8 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 37.7 t -68.48 -45.87 81.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 109.272 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -54.58 -46.12 73.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.772 ' CD2' HD13 ' A' ' 106' ' ' LEU . 0.8 OUTLIER -55.87 -45.1 78.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -61.86 -37.82 85.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.19 -35.61 73.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.3 t -69.13 -34.57 64.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.556 HG13 HD13 ' A' ' 103' ' ' LEU . 17.5 mm -66.01 -48.26 82.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.93 -36.31 75.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.34 -38.84 91.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.699 ' HB1' ' OD1' ' A' ' 93' ' ' ASN . . . -62.43 -50.4 71.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.14 -29.12 68.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -75.26 -38.86 60.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -114.18 111.03 47.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 55.03 3.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.89 32.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.535 ' CD2' ' HA ' ' A' ' 84' ' ' ALA . 0.3 OUTLIER -83.51 138.18 41.5 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 109.604 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.431 ' HD2' ' ND1' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -75.03 -21.91 15.3 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.789 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.11 -10.82 59.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.699 ' OD1' ' HB1' ' A' ' 84' ' ' ALA . 87.5 m-20 -81.05 154.26 26.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 160.93 104.08 0.19 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -145.25 -62.61 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 0.0 110.269 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.75 -121.1 0.58 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.61 -0.1 22.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -111.3 -51.06 0.6 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 65.83 65.87 0.52 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.2 123.03 39.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.435 HG23 HD12 ' A' ' 81' ' ' ILE . 4.2 t -71.07 169.9 14.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.44 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -142.05 140.59 32.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.556 HD13 HG13 ' A' ' 81' ' ' ILE . 5.7 tp -59.23 -29.87 67.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -63.1 -40.35 97.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.947 ' O ' ' HE1' ' A' ' 113' ' ' MET . 4.6 mtt180 -64.14 -46.92 81.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.772 HD13 ' CD2' ' A' ' 77' ' ' LEU . 95.9 mt -69.43 -15.63 63.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.28 -59.93 2.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.235 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.808 ' O ' HG13 ' A' ' 114' ' ' VAL . . . 108.57 30.02 3.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.109 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 109' ' ' LEU . 6.4 tp -107.24 -7.53 16.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.79 162.67 3.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.403 ' O ' HD11 ' A' ' 123' ' ' LEU . 2.1 p-10 -71.61 125.34 26.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.1 -2.38 65.85 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' MET . . . . . 1.018 ' SD ' HD21 ' A' ' 124' ' ' LEU . 0.2 OUTLIER -98.94 -34.41 10.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 0.742 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.808 HG13 ' O ' ' A' ' 108' ' ' GLY . 0.0 OUTLIER -97.93 132.45 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.84 2.73 66.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.12 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -151.96 116.84 3.05 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -74.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -36.24 64.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.66 -39.29 97.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.494 ' OE1' HD13 ' A' ' 49' ' ' LEU . 1.6 tt0 -66.28 -44.37 83.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.57 89.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.88 -16.98 62.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.452 ' C ' HD23 ' A' ' 123' ' ' LEU . 8.9 tt -79.08 -41.53 28.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 1.018 HD21 ' SD ' ' A' ' 113' ' ' MET . 0.1 OUTLIER -91.47 129.74 37.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.445 ' NH1' ' HB2' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -57.5 158.13 11.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 107.98 2.61 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 166.55 -54.77 0.24 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.12 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.5 ' HB2' HD21 ' A' ' 106' ' ' LEU . 2.3 pm0 -57.23 -29.32 63.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.446 ' N ' ' HG2' ' A' ' 128' ' ' GLU . 18.5 mt -57.08 -45.06 83.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 42.2 t -66.47 -39.96 85.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.56 -40.05 81.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 129' ' ' LEU . 21.0 mt -68.83 -38.64 78.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.764 HG23 ' SD ' ' A' ' 44' ' ' MET . 8.8 m -65.41 -49.41 69.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.24 89.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.373 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.41 -36.08 73.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.026 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.59 98.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.77 HD23 ' SD ' ' A' ' 37' ' ' MET . 0.4 OUTLIER -69.92 -33.17 71.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -64.16 -43.12 96.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.55 -33.55 74.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -63.82 -58.72 5.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -54.22 -26.7 29.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -68.75 -43.08 76.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.704 HG22 ' HB3' ' A' ' 68' ' ' LEU . 24.6 t -63.16 -42.76 97.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.25 -22.67 60.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 146' ' ' LEU . 0.1 OUTLIER -62.66 -43.62 98.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 145' ' ' ARG . 4.6 mm? -39.38 105.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . 64.71 78.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -117.31 102.9 52.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 133.93 17.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.479 1.778 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -104.01 151.89 22.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.436 ' HA3' ' HB3' ' A' ' 154' ' ' ALA . . . 130.21 101.97 0.96 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.146 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.48 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo -75.06 -47.07 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.441 1.758 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' TRP . . . . . 0.6 ' CH2' HD21 ' A' ' 180' ' ' LEU . 26.7 p90 -101.11 -26.44 13.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 108.008 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.436 ' HB3' ' HA3' ' A' ' 151' ' ' GLY . . . -57.0 -32.92 66.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.83 -22.1 43.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.81 HG22 ' CE1' ' A' ' 167' ' ' PHE . 52.4 mt -77.5 120.89 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.147 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.601 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 42.0 p -131.32 134.19 46.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.351 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.563 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 8.7 tm0? -68.76 124.14 22.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -115.52 160.17 13.42 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -23.65 13.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 89.7 p -73.92 -30.73 62.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 110.006 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -104.22 136.19 44.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 11.1 t -56.76 140.5 47.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.746 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.5 OUTLIER -55.67 -52.42 63.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.992 HG23 HG21 ' A' ' 219' ' ' ILE . 1.0 OUTLIER -60.01 -43.33 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -57.06 -43.99 82.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.81 ' CE1' HG22 ' A' ' 156' ' ' ILE . 56.5 t80 -67.81 -40.77 83.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -58.21 -36.5 73.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -64.86 -49.23 71.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -59.06 -37.42 77.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.656 HD11 ' HB3' ' A' ' 192' ' ' CYS . 0.7 OUTLIER -69.98 -50.57 40.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.532 HG12 HD13 ' A' ' 189' ' ' ILE . 59.5 mt -57.75 -35.49 51.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -37.53 77.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.86 -40.55 79.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 0.704 HG13 HD12 ' A' ' 180' ' ' LEU . 25.4 t -69.89 -41.13 79.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.78 -35.59 81.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -93.54 23.66 29.29 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 60.4 p -124.79 166.12 16.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.775 . . . . 0.0 109.942 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.34 91.32 5.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.704 HD12 HG13 ' A' ' 175' ' ' VAL . 19.6 mt -117.81 158.13 46.42 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.4 16.44 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 182' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.4 Cg_endo -74.94 136.02 19.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 183' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 1.7 t 85.16 -9.03 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -87.9 -18.97 28.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 185' ' ' ARG . . . . . 0.518 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 64.1 mtm180 -86.43 75.34 9.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.901 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 174.76 -56.92 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 187' ' ' PRO . . . . . 0.901 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -74.99 -28.41 9.2 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 43.0 t -66.82 -43.0 89.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.557 HG13 HG21 ' A' ' 175' ' ' VAL . 11.9 mt -67.82 -48.36 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 190' ' ' ILE . . . . . 0.766 HG23 HG21 ' A' ' 218' ' ' ILE . 29.1 mt -65.66 -39.49 85.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 191' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 187' ' ' PRO . 17.0 t70 -63.96 -36.39 83.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 192' ' ' CYS . . . . . 0.656 ' HB3' HD11 ' A' ' 171' ' ' LEU . 20.2 m -56.8 -42.79 80.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 108.328 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 193' ' ' PHE . . . . . 0.44 ' CD2' ' HA ' ' A' ' 190' ' ' ILE . 17.7 m-30 -61.15 -50.48 73.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 194' ' ' ARG . . . . . 0.52 ' HB3' HG21 ' A' ' 205' ' ' ILE . 2.5 ptt180 -84.8 14.89 4.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.45 -33.11 10.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -168.87 75.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 197' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 198' ' ' GLN . 51.8 p -141.06 165.93 26.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.993 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 198' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 197' ' ' SER . 2.8 mp0 -43.14 166.35 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -38.89 1.38 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.507 1.793 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -65.42 -50.2 66.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.401 ' HA ' HD13 ' A' ' 201' ' ' ILE . 11.7 mm -61.76 -45.42 98.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.231 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -65.63 -46.02 80.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -60.64 -34.25 74.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.876 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.6 OUTLIER -64.3 -49.85 70.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.52 HG21 ' HB3' ' A' ' 194' ' ' ARG . 0.3 OUTLIER -63.93 -39.93 87.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -38.72 92.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -83.84 -11.91 56.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 208' ' ' ALA . . . . . 0.686 ' HB2' ' CE2' ' A' ' 221' ' ' TYR . . . -63.75 161.1 39.68 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 209' ' ' PRO . . . . . 0.5 ' HD2' HD12 ' A' ' 212' ' ' LEU . 18.3 Cg_endo -74.94 155.73 43.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.66 9.26 9.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 46.8 m -92.6 -9.2 41.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 212' ' ' LEU . . . . . 0.818 ' O ' HG23 ' A' ' 213' ' ' THR . 2.7 mt -105.02 132.26 51.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.818 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.0 OUTLIER -163.33 38.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.442 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 214' ' ' THR . . . . . 0.602 ' C ' HD11 ' A' ' 190' ' ' ILE . 13.3 p -133.82 153.01 79.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.401 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 55.39 3.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 216' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 220' ' ' LYS . . . -164.87 -50.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.536 1.148 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 217' ' ' GLU . . . . . 0.535 ' CD ' ' HG1' ' A' ' 214' ' ' THR . 2.7 mt-10 -71.72 -33.32 68.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.77 . . . . 0.0 110.252 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 218' ' ' ILE . . . . . 0.766 HG21 HG23 ' A' ' 190' ' ' ILE . 33.7 mm -65.05 -50.48 74.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 219' ' ' ILE . . . . . 0.992 HG21 HG23 ' A' ' 165' ' ' VAL . 3.0 mt -72.01 -41.42 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 220' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 216' ' ' GLY . 0.2 OUTLIER -59.24 -38.17 79.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.245 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.732 ' CE2' HD23 ' A' ' 204' ' ' LEU . 15.7 t80 -73.87 -45.11 52.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.513 HG11 ' CE2' ' A' ' 164' ' ' PHE . 2.4 t -60.14 -43.65 93.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.65 -39.7 91.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -63.73 -34.26 77.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 225' ' ' ARG . . . . . 0.876 ' HB3' HD11 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -79.19 -39.74 32.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -51.58 -51.06 58.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.6 130.65 38.15 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 5.6 mt -131.93 130.58 61.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . -134.81 154.53 79.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.362 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.447 ' N ' ' OE1' ' A' ' 118' ' ' GLN . 2.7 p-90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.2 p -102.84 142.74 25.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.404 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 124.89 8.95 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.979 HD11 HD11 ' A' ' 19' ' ' ILE . 18.8 tp -116.25 154.83 29.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.418 ' H ' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -105.55 105.18 51.66 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.01 -25.54 11.75 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.449 1.762 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -65.67 -45.81 81.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.455 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 29.2 mt -69.86 -37.43 76.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.979 HD11 HD11 ' A' ' 14' ' ' LEU . 73.7 mt -71.07 -41.22 76.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 16' ' ' PRO . 52.2 m -68.93 -52.23 31.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.482 ' CG ' ' N ' ' A' ' 22' ' ' LEU . 9.3 ptm180 -57.26 -41.83 80.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 22' ' ' LEU . 2.5 tm? -66.31 -38.6 88.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.49 -31.34 70.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.6 ' O ' HG23 ' A' ' 28' ' ' THR . 22.7 t70 -60.99 -42.38 98.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.52 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 2.6 m -66.89 -37.63 84.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.775 HG22 ' HA ' ' A' ' 36' ' ' THR . 2.1 t -63.27 -43.6 98.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -65.71 -49.15 69.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.6 HG23 ' O ' ' A' ' 24' ' ' ASP . 41.0 p -65.35 -33.47 76.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.372 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.64 ' CB ' HG21 ' A' ' 35' ' ' ILE . 14.2 mmtt -81.36 -12.38 59.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.89 121.61 4.89 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.652 HD21 ' HZ ' ' A' ' 140' ' ' PHE . 1.1 tm? -66.12 -32.58 74.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -89.13 2.6 53.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.29 164.64 40.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.046 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -35.63 2.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.521 1.801 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.64 HG21 ' CB ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -50.31 -23.92 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.775 ' HA ' HG22 ' A' ' 26' ' ' VAL . 52.9 m -58.88 -49.72 76.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 38.6 mmt -64.7 -33.09 75.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.35 -52.33 28.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.624 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -60.09 -47.66 84.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 36' ' ' THR . 57.3 t -58.8 -49.41 82.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.634 ' HG3' HD22 ' A' ' 137' ' ' LEU . 20.4 mt-10 -60.36 -23.1 64.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -64.57 -55.02 23.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.584 HD11 HD21 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -72.88 -40.56 65.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.592 ' HB3' HG22 ' A' ' 133' ' ' THR . 16.1 mtt -76.11 -9.62 58.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 41' ' ' GLU . 5.3 m -33.79 -49.5 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.967 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 p -88.7 161.99 40.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.79 37.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.85 HD13 HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -146.51 -172.37 3.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.57 HD21 ' CB ' ' A' ' 121' ' ' ALA . 0.9 OUTLIER -92.4 164.95 20.82 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -25.97 11.29 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.485 1.782 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.465 ' O ' ' OG1' ' A' ' 54' ' ' THR . 14.7 m170 -67.6 -51.36 51.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 109.614 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.64 ' OD1' HD22 ' A' ' 48' ' ' LEU . 3.3 p30 -65.54 -30.72 71.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.85 HG23 HD13 ' A' ' 48' ' ' LEU . 2.2 t -56.41 -48.31 80.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.592 HG22 ' CH2' ' A' ' 69' ' ' TRP . 38.0 p -65.32 -49.79 68.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 110.401 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.468 ' ND2' ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -56.97 -41.83 79.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.584 HD21 HD11 ' A' ' 43' ' ' LEU . 5.7 tp -65.77 -52.64 49.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.554 ' HG2' ' CD1' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -57.1 -29.42 63.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 61' ' ' LEU . 14.0 ttt-85 -67.92 -36.24 79.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.6 t -74.93 -48.51 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.478 HG13 HD12 ' A' ' 56' ' ' LEU . 2.1 mt -70.12 -44.28 78.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 66' ' ' TYR . 1.5 tm? -107.34 128.5 54.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.426 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -42.63 161.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -25.06 12.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.506 1.793 . . . . 0.0 110.959 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.963 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.46 -59.24 3.27 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.963 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.03 -4.7 15.79 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.708 ' HA ' HD12 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -67.7 -41.38 83.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.058 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.78 -30.07 68.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.569 HD12 ' N ' ' A' ' 68' ' ' LEU . 3.9 mp -71.86 -38.99 69.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.592 ' CH2' HG22 ' A' ' 54' ' ' THR . 3.0 t90 -65.56 -37.74 87.56 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 45.0 tpp -59.29 -42.21 90.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -71.1 -46.44 61.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.24 72.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.524 ' HA ' ' HB2' ' A' ' 139' ' ' ALA . 19.5 t90 -63.9 -41.36 97.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 108.003 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.9 -46.62 93.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 15.2 t -66.19 -39.92 85.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -59.06 -45.62 90.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.632 ' CD2' HD13 ' A' ' 106' ' ' LEU . 3.8 mt -56.02 -46.31 78.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.751 ' HA ' HD13 ' A' ' 103' ' ' LEU . 64.3 mt-30 -63.2 -31.43 72.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -35.04 77.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.405 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.58 HG13 ' CD2' ' A' ' 90' ' ' HIS . 2.6 t -66.96 -34.87 72.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.645 HG13 HG23 ' A' ' 101' ' ' THR . 0.8 OUTLIER -78.01 -50.27 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.18 -37.25 76.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.73 ' HB3' ' CE1' ' A' ' 90' ' ' HIS . . . -65.4 -49.16 70.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.495 ' HB2' ' CB ' ' A' ' 90' ' ' HIS . . . -60.14 -48.47 81.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 m -60.42 -37.01 79.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.1 ttt-85 -75.09 -43.27 54.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -136.14 123.56 14.64 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 54.81 3.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.442 1.759 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -127.51 12.01 6.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.73 ' CE1' ' HB3' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -87.52 140.87 31.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.582 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.497 ' HD2' ' CD2' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -75.0 -26.6 10.75 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.524 1.802 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.06 -12.47 60.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.49 150.76 22.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.04 -86.9 0.08 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.416 1.072 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -151.64 37.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.66 -119.44 5.98 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.465 1.103 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -4.2 27.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.55 -32.81 67.53 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -150.04 -61.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.77 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 72.02 123.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.645 HG23 HG13 ' A' ' 81' ' ' ILE . 5.1 t -77.08 170.01 17.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.443 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.18 148.84 26.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.751 HD13 ' HA ' ' A' ' 78' ' ' GLN . 6.9 tp -61.24 -30.34 70.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -64.75 -41.79 95.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -64.78 -45.43 86.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.669 HD21 ' HB2' ' A' ' 128' ' ' GLU . 10.3 mt -72.97 -15.96 61.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.407 ' CD ' ' O ' ' A' ' 103' ' ' LEU . 1.9 mptp? -70.88 -51.3 27.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.993 ' O ' HG13 ' A' ' 114' ' ' VAL . . . 116.6 10.48 10.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.146 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.4 tp -76.68 -3.02 35.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 0.758 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.57 ' HB3' ' CG ' ' A' ' 113' ' ' MET . . . -58.83 158.29 8.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.07 122.09 17.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 85.01 -11.11 61.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.899 ' SD ' HD21 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -78.87 -31.08 45.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 0.715 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.993 HG13 ' O ' ' A' ' 108' ' ' GLY . 0.0 OUTLIER -98.24 136.41 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.48 3.16 64.98 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -156.24 103.49 2.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -44.05 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.447 ' OE1' ' N ' ' A' ' 11' ' ' TRP . 20.7 mp0 -76.94 -34.05 57.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -71.18 -43.21 56.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.51 ' CB ' ' HA ' ' A' ' 113' ' ' MET . 19.6 pt20 -67.02 -43.58 82.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 0.791 . . . . 0.0 110.31 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.57 ' CB ' HD21 ' A' ' 49' ' ' LEU . . . -58.09 -30.9 66.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.12 -30.15 55.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.801 HD23 ' C ' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -84.38 -14.97 48.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.899 HD21 ' SD ' ' A' ' 113' ' ' MET . 40.6 mt -91.68 102.08 14.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.503 ' CD ' ' OE1' ' A' ' 128' ' ' GLU . 0.1 OUTLIER -46.96 159.37 0.38 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 107.76 2.56 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.484 1.781 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.87 -53.83 0.27 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.553 1.158 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.669 ' HB2' HD21 ' A' ' 106' ' ' LEU . 7.5 pm0 -66.66 -31.78 72.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 110.31 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.423 ' N ' ' HG2' ' A' ' 128' ' ' GLU . 27.8 mt -59.17 -40.18 84.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 44.4 t -67.88 -39.14 81.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.89 -39.38 71.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 43.8 mt -66.9 -39.97 84.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.592 HG22 ' HB3' ' A' ' 44' ' ' MET . 1.3 m -65.4 -49.77 68.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.76 -43.9 97.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 6.3 t -63.11 -38.21 90.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.003 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.32 -39.92 94.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.634 HD22 ' HG3' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -66.42 -39.9 89.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.63 -37.6 87.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.524 ' HB2' ' HA ' ' A' ' 73' ' ' TRP . . . -67.8 -33.23 74.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.652 ' HZ ' HD21 ' A' ' 31' ' ' LEU . 19.8 t80 -62.81 -62.11 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -53.02 -24.92 10.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -67.55 -39.0 84.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.432 HG21 ' N ' ' A' ' 69' ' ' TRP . 23.7 t -76.46 -43.08 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.5 -49.97 75.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -70.03 -43.96 70.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.3 tt 59.89 154.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -151.89 178.23 9.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -115.48 148.11 40.22 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.163 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.61 5.16 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.52 1.8 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -103.71 151.36 23.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.424 ' O ' ' HB3' ' A' ' 154' ' ' ALA . . . -67.24 153.02 52.91 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.117 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.564 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.2 Cg_endo -75.06 -44.81 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' TRP . . . . . 0.66 ' HA ' HD12 ' A' ' 156' ' ' ILE . 37.1 p90 -52.69 -27.46 17.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 108.02 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 151' ' ' GLY . . . -63.49 -32.58 74.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -79.57 -18.52 51.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.88 HG22 ' CE1' ' A' ' 167' ' ' PHE . 9.7 mt -85.24 120.72 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.613 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 39.6 m -125.92 138.67 53.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.567 ' HB2' ' CD2' ' A' ' 167' ' ' PHE . 6.7 tm0? -75.73 129.98 37.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -109.11 158.31 14.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -19.0 18.16 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.22 -31.45 33.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.587 1.179 . . . . 0.0 109.948 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.57 135.26 40.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.45 ' OG ' HG12 ' A' ' 165' ' ' VAL . 0.7 OUTLIER -57.66 142.13 46.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.548 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.8 OUTLIER -55.94 -49.43 73.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.897 HG23 HG21 ' A' ' 219' ' ' ILE . 0.8 OUTLIER -62.4 -36.24 73.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.1 -48.58 79.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.88 ' CE1' HG22 ' A' ' 156' ' ' ILE . 84.9 t80 -67.3 -32.99 74.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.473 ' O ' HD12 ' A' ' 172' ' ' ILE . . . -62.36 -34.24 76.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 169' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 165' ' ' VAL . 34.6 m-80 -68.31 -50.62 52.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 1.3 mtp-105 -60.33 -37.28 80.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.271 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.805 HD12 ' CE2' ' A' ' 167' ' ' PHE . 1.2 tt -70.85 -51.34 27.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' ' 168' ' ' ALA . 34.8 mt -57.27 -34.62 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.37 -37.53 77.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.498 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -69.06 -46.58 67.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 0.765 HG21 HG13 ' A' ' 189' ' ' ILE . 25.2 t -61.6 -45.5 98.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.03 -43.11 63.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -94.45 28.24 11.6 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.48 166.23 11.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 0.799 . . . . 0.0 109.993 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -94.43 86.35 4.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.553 HD11 ' CH2' ' A' ' 153' ' ' TRP . 21.5 mt -128.06 158.68 70.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.497 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.2 Cg_endo -74.98 161.9 38.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.792 . . . . 0.0 110.958 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 182' ' ' PRO . . . . . 0.516 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.2 Cg_endo -75.06 83.08 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 183' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.9 OUTLIER 158.81 -35.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.004 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.497 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -82.37 -9.9 59.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 185' ' ' ARG . . . . . 0.565 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 9.0 mtm180 -84.71 70.69 10.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.862 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 171.31 -55.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 187' ' ' PRO . . . . . 0.862 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -74.99 -26.58 10.81 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.449 1.763 . . . . 0.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 7.8 t -66.66 -36.01 76.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.765 HG13 HG21 ' A' ' 175' ' ' VAL . 5.4 mt -68.8 -45.47 80.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 190' ' ' ILE . . . . . 0.86 HD11 ' C ' ' A' ' 214' ' ' THR . 66.3 mt -60.83 -35.83 67.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 191' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 195' ' ' GLN . 6.9 t70 -58.21 -48.09 81.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 11.5 m -53.15 -49.14 67.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.315 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 193' ' ' PHE . . . . . 0.7 ' CZ ' ' CG2' ' A' ' 189' ' ' ILE . 8.5 m-30 -54.75 -24.85 24.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 194' ' ' ARG . . . . . 0.501 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 10.8 ptt180 -124.48 29.91 6.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 195' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 191' ' ' ASP . 0.9 OUTLIER -114.43 -56.1 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 196' ' ' LYS . . . . . 0.452 ' HG2' HG23 ' A' ' 157' ' ' THR . 5.2 tttp -118.06 -39.14 3.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 197' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 198' ' ' GLN . 1.1 m -38.8 158.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.031 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 198' ' ' GLN . . . . . 0.41 ' O ' ' O ' ' A' ' 197' ' ' SER . 2.8 mp0 -42.89 166.34 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 199' ' ' PRO . . . . . 0.424 ' HA ' ' HG2' ' A' ' 202' ' ' GLN . 18.3 Cg_endo -75.05 -33.07 4.81 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.37 -34.79 78.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 17.7 mm -78.18 -45.68 26.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 202' ' ' GLN . . . . . 0.424 ' HG2' ' HA ' ' A' ' 199' ' ' PRO . 5.1 pt20 -65.68 -40.39 92.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -62.93 -37.71 88.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.801 HD21 ' CG ' ' A' ' 225' ' ' ARG . 0.3 OUTLIER -66.19 -49.1 68.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.541 ' O ' ' HB3' ' A' ' 208' ' ' ALA . 0.5 OUTLIER -62.6 -40.01 86.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -64.0 -36.86 85.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.255 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -86.82 4.0 42.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 208' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -67.76 158.45 83.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 209' ' ' PRO . . . . . 0.482 ' HG2' HD21 ' A' ' 212' ' ' LEU . 18.2 Cg_endo -75.02 155.09 42.83 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.537 1.809 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.26 1.46 44.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 97.2 m -84.97 -2.48 57.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 110.386 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 212' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 213' ' ' THR . 0.0 OUTLIER -145.57 138.13 25.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.351 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.0 OUTLIER -155.5 43.0 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.411 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 214' ' ' THR . . . . . 0.86 ' C ' HD11 ' A' ' 190' ' ' ILE . 0.4 OUTLIER -134.42 158.91 74.12 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.393 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 215' ' ' PRO . . . . . 0.581 ' HD3' ' CA ' ' A' ' 186' ' ' ALA . 18.4 Cg_endo -75.0 55.18 3.87 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.806 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -148.67 -62.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.71 -32.54 60.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.784 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 218' ' ' ILE . . . . . 0.609 HG12 HD13 ' A' ' 190' ' ' ILE . 1.4 mp -62.87 -51.21 74.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.359 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 219' ' ' ILE . . . . . 0.897 HG21 HG23 ' A' ' 165' ' ' VAL . 4.0 mt -62.26 -50.12 81.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -56.68 -33.74 66.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -74.21 -47.31 36.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.421 HG22 ' HB3' ' A' ' 204' ' ' LEU . 3.8 t -60.47 -49.78 82.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.478 HD11 ' CG2' ' A' ' 165' ' ' VAL . 54.9 mt -57.24 -40.74 78.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.78 -32.88 74.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 225' ' ' ARG . . . . . 0.801 ' CG ' HD21 ' A' ' 204' ' ' LEU . 3.1 tpt180 -74.32 -34.53 63.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -59.2 -56.16 25.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.325 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 58.45 167.76 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 2.0 tt -82.85 -5.37 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . -159.75 155.35 22.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 49.6 t90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.43 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 15.1 t -132.49 142.57 45.38 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 12' ' ' THR . 18.2 Cg_endo -74.99 125.5 9.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 0.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.913 HD13 HD12 ' A' ' 19' ' ' ILE . 2.4 pp -113.86 155.19 26.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.416 ' CG ' HD12 ' A' ' 18' ' ' LEU . 2.4 pm0 -113.99 149.32 41.72 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.427 ' O ' ' CB ' ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.08 -29.52 8.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.79 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -63.4 -50.92 67.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.433 ' N ' ' CG ' ' A' ' 17' ' ' LYS . 82.4 mt -69.75 -45.79 67.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.913 HD12 HD13 ' A' ' 14' ' ' LEU . 9.6 mt -59.26 -37.43 68.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.427 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 1.4 m -62.08 -38.43 88.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.381 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.53 -48.38 75.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.331 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.541 HD23 ' CD ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -66.53 -39.11 88.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.463 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -65.32 -34.65 78.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.776 ' O ' HG23 ' A' ' 28' ' ' THR . 0.3 OUTLIER -62.21 -47.94 82.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.519 HG22 ' OE1' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -59.62 -37.89 79.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.385 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.727 HG13 HG23 ' A' ' 36' ' ' THR . 9.1 t -59.63 -44.11 92.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.14 -48.65 72.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.776 HG23 ' O ' ' A' ' 24' ' ' ASP . 19.7 p -71.92 -15.65 62.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.581 ' CG ' HG21 ' A' ' 35' ' ' ILE . 23.0 mmtm -94.87 -14.74 24.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.88 127.46 3.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.681 ' CD1' HD23 ' A' ' 61' ' ' LEU . 1.1 mt -67.74 -19.05 65.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 0.769 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.2 ptt-85 -95.21 2.04 54.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 12.7 m -89.85 160.38 41.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.022 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -24.4 12.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.798 . . . . 0.0 110.999 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.581 HG21 ' CG ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -62.48 -31.27 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.727 HG23 HG13 ' A' ' 26' ' ' VAL . 3.3 m -66.5 -49.05 67.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.38 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 20.5 mmt -64.72 -38.03 89.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.26 -52.24 29.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.541 ' CD ' HD23 ' A' ' 22' ' ' LEU . 8.3 mt-10 -60.02 -47.29 86.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 36' ' ' THR . 53.0 t -61.3 -39.47 82.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.503 ' HG3' HD21 ' A' ' 137' ' ' LEU . 31.0 mt-10 -69.16 -24.66 64.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.342 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -66.49 -54.75 20.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.497 HD12 ' HG3' ' A' ' 44' ' ' MET . 0.9 OUTLIER -69.0 -48.05 64.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.527 ' HB3' HG22 ' A' ' 133' ' ' THR . 22.1 mtt -71.94 -10.79 60.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' GLU . 57.7 p -35.96 -37.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.19 165.14 14.11 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.66 12.54 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.518 1.799 . . . . 0.0 110.945 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.588 HD13 ' CG2' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -123.34 -174.3 2.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.939 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -88.7 162.6 38.36 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HB3' HD13 ' A' ' 132' ' ' ILE . 18.3 Cg_endo -75.0 -33.91 4.22 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.403 ' O ' ' OG1' ' A' ' 54' ' ' THR . 9.8 t-80 -68.11 -44.6 75.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.55 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 18.8 m-20 -64.27 -32.44 74.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.939 HG23 ' O ' ' A' ' 49' ' ' LEU . 38.3 t -56.43 -47.29 81.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 51' ' ' HIS . 61.0 p -67.54 -45.91 74.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.469 ' C ' ' ND2' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -57.55 -43.85 84.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.517 HD11 HD11 ' A' ' 60' ' ' ILE . 4.0 tp -68.13 -42.08 80.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.973 ' O ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -62.98 -31.23 72.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.411 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 16.1 ttt-85 -68.41 -36.77 79.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.9 t -70.9 -44.77 75.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.517 HD11 HD11 ' A' ' 56' ' ' LEU . 98.6 mt -72.38 -43.3 64.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.973 HD12 ' O ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -120.78 132.5 55.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.496 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -62.13 -166.63 0.53 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.452 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -74.94 -19.58 17.84 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.491 1.785 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.942 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.51 -58.75 3.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.942 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.0 4.51 4.68 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.453 1.765 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.452 ' HB2' ' HA ' ' A' ' 63' ' ' PRO . 2.8 t80 -77.67 -47.51 19.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.59 -30.0 70.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.788 ' HB3' HG22 ' A' ' 143' ' ' VAL . 6.0 mp -68.8 -46.54 68.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.751 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 27.8 t90 -70.68 -41.54 71.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 108.004 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 11.3 mmt -61.9 -38.1 87.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -68.79 -44.21 74.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.89 -28.69 62.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.259 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.751 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 16.8 t90 -71.69 -44.22 64.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 108.042 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.91 -45.31 92.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.38 -46.37 80.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 0.752 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.407 ' O ' ' HB ' ' A' ' 79' ' ' THR . 63.7 mm-40 -55.93 -45.98 78.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 77' ' ' LEU . 2.1 mt -60.73 -45.46 94.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -60.4 -30.21 69.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -67.73 -34.92 77.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.378 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.433 HG12 HD12 ' A' ' 81' ' ' ILE . 3.1 t -67.97 -46.95 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.719 HG13 HG23 ' A' ' 101' ' ' THR . 1.7 mp -66.56 -50.18 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.46 86.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 79' ' ' THR . . . -59.3 -49.24 78.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.537 ' HB1' ' OD1' ' A' ' 93' ' ' ASN . . . -60.48 -49.32 78.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 m -58.95 -29.07 66.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.395 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -74.78 -38.92 62.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -135.13 119.11 13.26 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 54.93 3.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.87 23.57 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 0.2 OUTLIER -87.11 141.69 33.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.573 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.2 Cg_endo -75.0 -22.09 15.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.463 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -75.49 -7.12 53.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.537 ' OD1' ' HB1' ' A' ' 84' ' ' ALA . 92.0 m-20 -78.92 144.44 34.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.403 ' HA3' ' NH2' ' A' ' 125' ' ' ARG . . . 158.8 137.49 2.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -175.97 -69.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 110.336 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -155.99 -122.39 0.76 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.102 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -78.1 0.03 26.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.746 . . . . 0.0 110.267 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -106.06 -54.34 0.72 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 65.36 66.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 110.328 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -133.13 128.4 36.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 110.252 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.719 HG23 HG13 ' A' ' 81' ' ' ILE . 13.4 t -72.96 161.35 30.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.387 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.11 155.92 39.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.646 HD12 HD13 ' A' ' 81' ' ' ILE . 0.6 OUTLIER -62.93 -42.98 99.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.63 -39.03 86.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -45.97 92.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.579 HD12 HD11 ' A' ' 81' ' ' ILE . 23.8 mt -75.6 -16.5 60.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.39 -48.04 16.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.403 ' CA ' ' OE1' ' A' ' 120' ' ' GLN . . . 114.41 19.1 6.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.907 ' HA ' HG22 ' A' ' 114' ' ' VAL . 7.2 tp -91.62 6.35 46.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.624 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.66 162.01 4.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -61.15 125.16 22.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 77.8 -1.06 69.24 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.624 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 8.5 mtt -102.37 -21.49 14.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.769 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.907 HG22 ' HA ' ' A' ' 109' ' ' LEU . 10.7 t -69.75 125.3 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 78.83 -3.44 64.58 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -121.99 98.65 44.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -62.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.02 -43.93 70.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.53 -35.65 92.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.558 ' CD ' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -65.77 -42.06 91.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.786 . . . . 0.0 110.31 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.805 ' HB2' HD11 ' A' ' 49' ' ' LEU . . . -65.88 -35.83 81.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.02 -20.16 58.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.521 HD23 ' HA ' ' A' ' 123' ' ' LEU . 1.0 OUTLIER -86.95 -33.3 19.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.558 HD11 ' CD ' ' A' ' 120' ' ' GLN . 5.2 mt -78.94 148.72 32.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -73.62 157.74 87.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 108.24 2.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.31 -42.28 1.09 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.097 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.463 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 1.5 mt-10 -56.56 -34.68 67.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 0.753 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.42 -41.25 96.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 51.8 t -59.33 -39.78 79.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.74 -38.86 76.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.54 ' CG1' HD22 ' A' ' 106' ' ' LEU . 8.2 mt -69.05 -42.16 81.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.527 HG22 ' HB3' ' A' ' 44' ' ' MET . 1.7 m -63.26 -46.25 87.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.386 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.02 99.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 29.1 p -67.48 -33.72 75.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.987 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.18 -42.31 80.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.503 HD21 ' HG3' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -69.18 -36.38 77.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -66.92 -39.52 87.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.21 -30.79 69.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.411 ' CZ ' ' CG2' ' A' ' 36' ' ' THR . 2.4 t80 -65.56 -62.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 2.6 ptp85 -52.8 -26.08 13.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -72.53 -30.39 64.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.788 HG22 ' HB3' ' A' ' 68' ' ' LEU . 3.3 t -84.68 -31.35 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.21 -49.92 25.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.531 ' HD3' ' HB3' ' A' ' 147' ' ' ALA . 5.1 tmm_? -60.9 -45.27 95.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.509 ' C ' ' O ' ' A' ' 145' ' ' ARG . 0.2 OUTLIER 31.0 86.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.531 ' HB3' ' HD3' ' A' ' 145' ' ' ARG . . . -175.88 136.51 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -117.84 118.79 34.48 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 109.7 2.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.465 1.771 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -103.62 151.89 22.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.91 87.62 0.07 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.462 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo -75.0 -46.88 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' TRP . . . . . 0.747 ' CH2' HD11 ' A' ' 180' ' ' LEU . 38.9 p90 -77.41 -19.3 56.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 108.005 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.83 -32.82 67.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -79.8 -19.22 49.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 153' ' ' TRP . 9.5 mt -84.17 121.0 36.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.596 ' O ' ' CE1' ' A' ' 167' ' ' PHE . 1.9 m -127.37 141.93 51.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.555 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 2.9 tm0? -85.77 129.93 34.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.433 ' N ' ' OE2' ' A' ' 162' ' ' GLU . . . -127.87 163.72 21.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -27.74 9.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.782 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 3.0 m -67.97 -29.36 68.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.433 ' OE2' ' N ' ' A' ' 159' ' ' GLY . 15.8 pt-20 -102.68 135.65 43.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.405 ' CB ' ' HB2' ' A' ' 166' ' ' ASP . 0.5 OUTLIER -57.3 133.05 54.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.003 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.45 ' CE2' ' CG1' ' A' ' 222' ' ' VAL . 2.4 t80 -55.84 -51.84 66.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.85 HG23 ' CG2' ' A' ' 219' ' ' ILE . 0.3 OUTLIER -62.68 -44.24 99.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.42 ' N ' ' CG1' ' A' ' 165' ' ' VAL . 45.9 m-20 -59.0 -47.83 83.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 157' ' ' THR . 84.4 t80 -64.58 -40.48 95.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.65 -39.76 71.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -63.42 -43.36 97.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -62.86 -37.53 87.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.599 HD11 ' HB3' ' A' ' 192' ' ' CYS . 0.4 OUTLIER -71.3 -45.87 62.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.51 HG12 HD13 ' A' ' 189' ' ' ILE . 23.0 mt -61.25 -38.9 80.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -68.96 -37.44 78.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.497 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -68.51 -41.04 80.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 0.579 HG13 HD12 ' A' ' 180' ' ' LEU . 37.7 t -69.4 -45.25 79.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -55.6 -33.69 64.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -98.55 19.8 52.95 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 25.5 p -112.89 165.81 11.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -93.51 88.8 6.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.747 HD11 ' CH2' ' A' ' 153' ' ' TRP . 16.9 mt -126.57 155.01 75.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.593 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.4 Cg_endo -74.99 162.79 36.57 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 75.67 3.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.792 . . . . 0.0 110.967 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 167.44 -31.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.974 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.593 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -81.49 -11.93 59.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 185' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 7.7 mtm180 -84.43 70.52 10.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.918 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 175.6 -57.4 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 187' ' ' PRO . . . . . 0.918 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.4 Cg_endo -74.98 -29.94 7.73 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 24.5 t -65.2 -41.08 90.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.51 HD13 HG12 ' A' ' 172' ' ' ILE . 39.1 mt -66.32 -48.06 82.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 190' ' ' ILE . . . . . 0.668 HD11 ' C ' ' A' ' 214' ' ' THR . 29.6 mt -65.61 -41.92 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 191' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' A' ' 191' ' ' ASP . 31.9 t0 -59.62 -40.56 87.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 192' ' ' CYS . . . . . 0.599 ' HB3' HD11 ' A' ' 171' ' ' LEU . 24.4 m -53.9 -48.5 70.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 193' ' ' PHE . . . . . 0.494 ' CZ ' HG22 ' A' ' 189' ' ' ILE . 7.2 m-30 -53.34 -45.1 68.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 194' ' ' ARG . . . . . 0.655 ' HB3' HG21 ' A' ' 205' ' ' ILE . 0.1 OUTLIER -96.01 20.37 10.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -102.16 -33.9 9.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.09 72.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 197' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 198' ' ' GLN . 4.8 p -147.37 157.04 43.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 198' ' ' GLN . . . . . 0.506 ' HB2' ' HD2' ' A' ' 199' ' ' PRO . 0.3 OUTLIER -39.29 162.35 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 199' ' ' PRO . . . . . 0.506 ' HD2' ' HB2' ' A' ' 198' ' ' GLN . 18.4 Cg_endo -75.03 -30.6 6.95 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.497 1.788 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -45.29 85.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.514 ' CD1' HG11 ' A' ' 222' ' ' VAL . 2.8 mm -74.96 -45.75 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -59.28 -40.46 86.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 203' ' ' GLN . . . . . 0.408 ' OE1' ' HB2' ' A' ' 207' ' ' ALA . 2.8 tp-100 -64.67 -33.48 76.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.904 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.5 OUTLIER -70.33 -48.88 54.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.655 HG21 ' HB3' ' A' ' 194' ' ' ARG . 0.2 OUTLIER -63.28 -39.1 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -64.44 -42.78 95.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 207' ' ' ALA . . . . . 0.408 ' HB2' ' OE1' ' A' ' 203' ' ' GLN . . . -78.17 -0.26 27.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 208' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -59.92 151.11 66.16 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 209' ' ' PRO . . . . . 0.528 ' HD2' HD12 ' A' ' 212' ' ' LEU . 18.2 Cg_endo -74.96 146.83 33.32 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 110.984 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 12.9 m -69.33 61.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 13.5 m -156.74 -38.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.433 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 212' ' ' LEU . . . . . 0.746 ' O ' HG23 ' A' ' 213' ' ' THR . 1.6 mt -74.03 124.01 25.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.4 p -161.3 32.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.428 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 214' ' ' THR . . . . . 0.668 ' C ' HD11 ' A' ' 190' ' ' ILE . 7.0 p -127.61 153.21 77.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.431 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.21 3.89 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -164.78 -51.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -71.5 -32.71 68.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 218' ' ' ILE . . . . . 0.567 HG21 HG23 ' A' ' 190' ' ' ILE . 50.8 mm -68.64 -51.7 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 219' ' ' ILE . . . . . 0.85 ' CG2' HG23 ' A' ' 165' ' ' VAL . 3.9 mt -63.85 -43.35 97.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -62.43 -44.48 96.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.458 ' CZ ' HD23 ' A' ' 204' ' ' LEU . 5.9 t80 -64.37 -50.47 67.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.514 HG11 ' CD1' ' A' ' 201' ' ' ILE . 2.7 t -60.29 -44.9 96.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.533 HD11 ' CG2' ' A' ' 165' ' ' VAL . 13.2 mt -61.49 -40.62 95.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -62.98 -51.25 67.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 225' ' ' ARG . . . . . 0.904 ' HB3' HD11 ' A' ' 204' ' ' LEU . 5.7 tpt180 -62.63 -35.16 78.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -52.13 -46.5 65.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.99 116.07 25.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 3.4 pt -117.66 136.47 54.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 229' ' ' ALA . . . . . 0.802 ' HB3' ' HD3' ' A' ' 230' ' ' PRO . . . -57.39 -52.88 70.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 230' ' ' PRO . . . . . 0.802 ' HD3' ' HB3' ' A' ' 229' ' ' ALA . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 31.8 m-90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 9.7 t -131.85 140.43 38.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.405 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 12' ' ' THR . 18.4 Cg_endo -74.98 144.02 29.83 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.44 1.758 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.762 ' HG ' HD11 ' A' ' 19' ' ' ILE . 0.5 OUTLIER -64.34 100.49 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.553 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.4 OUTLIER -113.49 140.66 24.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 15' ' ' GLU . 18.2 Cg_endo -75.02 -34.67 3.63 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.545 ' HG3' HD23 ' A' ' 18' ' ' LEU . 1.7 pttm -71.11 -47.79 56.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.545 HD23 ' HG3' ' A' ' 17' ' ' LYS . 12.1 mt -65.93 -43.31 88.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.832 HG21 HD12 ' A' ' 56' ' ' LEU . 35.9 mt -58.68 -37.12 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.363 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.0 m -61.77 -39.67 92.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -48.8 73.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.638 HD21 ' HG3' ' A' ' 39' ' ' GLU . 1.5 tt -65.13 -37.93 89.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.615 ' HB2' HG12 ' A' ' 60' ' ' ILE . . . -66.69 -34.51 78.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.491 ' O ' ' CG ' ' A' ' 27' ' ' ARG . 2.7 m-20 -62.21 -33.09 73.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.512 HG23 ' HG3' ' A' ' 29' ' ' LYS . 1.1 m -71.31 -36.22 71.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.415 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.799 ' CG1' HG23 ' A' ' 36' ' ' THR . 68.8 t -65.03 -51.47 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.648 ' HG3' HG23 ' A' ' 28' ' ' THR . 0.7 OUTLIER -56.74 -34.21 67.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.648 HG23 ' HG3' ' A' ' 27' ' ' ARG . 28.1 p -87.21 -22.76 25.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.428 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.564 ' HB3' HG21 ' A' ' 35' ' ' ILE . 5.3 mmtm -95.68 9.64 39.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.64 126.01 0.02 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.491 HD23 ' CE1' ' A' ' 140' ' ' PHE . 3.9 mp -67.58 -34.88 77.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.63 2.28 56.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.285 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -92.36 161.54 32.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.507 ' O ' ' CG1' ' A' ' 35' ' ' ILE . 18.4 Cg_endo -75.0 98.41 1.16 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.491 1.785 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.564 HG21 ' HB3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER 163.64 -31.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.799 HG23 ' CG1' ' A' ' 26' ' ' VAL . 66.7 m -59.24 -47.81 83.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.385 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.501 ' SD ' HD23 ' A' ' 137' ' ' LEU . 16.8 mmt -64.58 -38.07 89.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.64 -52.62 43.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.638 ' HG3' HD21 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -61.25 -47.48 85.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 36' ' ' THR . 59.9 t -59.97 -45.76 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 45' ' ' SER . 18.6 mt-10 -67.5 -23.79 65.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.258 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -60.58 -55.39 33.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.833 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -72.51 -49.68 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.505 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 24.4 mtt -65.85 -10.69 40.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 111.029 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 41' ' ' GLU . 11.0 t -36.8 -33.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -107.34 162.67 18.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.011 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 149.68 37.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.749 HD13 HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -150.35 173.01 14.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.645 ' N ' HD23 ' A' ' 49' ' ' LEU . 1.7 mt -74.55 161.58 77.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HB3' HG21 ' A' ' 132' ' ' ILE . 18.2 Cg_endo -74.97 -26.6 10.81 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.502 1.791 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.465 ' O ' ' OG1' ' A' ' 54' ' ' THR . 0.5 OUTLIER -67.95 -48.01 67.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.597 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.723 ' OD2' HD22 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -64.68 -31.09 72.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.749 HG23 HD13 ' A' ' 48' ' ' LEU . 2.0 t -54.27 -47.72 68.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 51' ' ' HIS . 76.7 p -67.0 -40.14 87.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -62.57 -42.9 99.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.833 HD21 ' CD1' ' A' ' 43' ' ' LEU . 3.9 tp -70.99 -44.47 65.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.562 ' HG2' ' CZ2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -63.77 -28.59 69.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 61' ' ' LEU . 2.7 tmt_? -71.3 -36.3 71.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.2 t -75.5 -48.1 31.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.615 HG12 ' HB2' ' A' ' 23' ' ' ALA . 8.5 mt -73.5 -44.41 53.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 57' ' ' MET . 0.1 OUTLIER -99.92 132.92 44.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.462 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -59.5 172.56 4.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.452 ' O ' ' CB ' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.04 -42.91 0.43 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.492 1.785 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.845 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -61.3 -54.52 52.32 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.845 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.0 6.73 3.22 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.509 1.794 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.452 ' CB ' ' O ' ' A' ' 63' ' ' PRO . 5.2 t80 -75.05 -45.67 40.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.5 -29.69 68.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.791 ' HB3' HG22 ' A' ' 143' ' ' VAL . 7.0 mp -67.09 -47.12 72.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.581 ' HZ3' ' HE2' ' A' ' 70' ' ' MET . 25.1 t90 -70.6 -43.46 69.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 108.023 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.581 ' HE2' ' HZ3' ' A' ' 69' ' ' TRP . 0.4 OUTLIER -59.27 -37.02 76.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -70.89 -46.22 62.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.93 -28.8 66.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.532 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 15.0 t90 -66.85 -44.59 80.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 108.006 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.61 -41.16 93.48 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.18 -47.07 79.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.414 ' O ' ' HB ' ' A' ' 79' ' ' THR . 1.5 mp0 -58.6 -45.89 88.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.757 ' CD2' HD13 ' A' ' 106' ' ' LEU . 2.4 mt -60.7 -46.57 89.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -58.85 -36.69 74.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 76' ' ' GLN . 1.0 OUTLIER -59.46 -36.11 75.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.395 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.56 HG11 HD11 ' A' ' 106' ' ' LEU . 2.2 t -71.01 -34.72 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.468 HG13 ' CD1' ' A' ' 103' ' ' LEU . 29.4 mm -71.6 -45.6 66.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.65 -44.0 83.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.44 -45.64 80.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.476 ' HA ' ' CD2' ' A' ' 90' ' ' HIS . . . -68.09 -40.43 82.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.2 m -60.27 -38.39 83.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.413 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -75.07 -43.02 55.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.52 107.48 60.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.444 ' O ' ' CG ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.95 53.98 3.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 88' ' ' PRO . 34.6 mtp180 -160.78 26.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.476 ' CD2' ' HA ' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -78.28 145.15 67.97 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.621 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.405 ' HD2' ' ND1' ' A' ' 90' ' ' HIS . 18.5 Cg_endo -74.94 -21.95 15.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.489 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -73.95 -7.13 51.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -84.95 152.82 23.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.74 -96.23 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -96.26 -61.9 1.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.99 -2.22 11.73 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -96.24 0.13 50.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 150.75 43.31 0.02 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -125.02 -72.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 0.77 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 65.09 145.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.318 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.427 ' CG2' ' HB3' ' A' ' 84' ' ' ALA . 13.0 t -72.72 140.89 48.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -127.3 155.19 43.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.468 ' CD1' HG13 ' A' ' 81' ' ' ILE . 5.2 tp -63.36 -37.83 88.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.65 -42.59 99.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -46.43 89.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.757 HD13 ' CD2' ' A' ' 77' ' ' LEU . 6.0 mt -70.85 -21.58 62.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -61.04 -51.51 68.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.361 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.44 ' HA2' ' CE ' ' A' ' 113' ' ' MET . . . 108.51 18.37 9.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.771 ' HA ' HG22 ' A' ' 114' ' ' VAL . 3.8 tp -105.21 5.97 32.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.817 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.87 129.2 41.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -46.26 134.51 8.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.29 -18.59 57.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.817 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 36.2 mtp -101.18 -33.32 10.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.771 HG22 ' HA ' ' A' ' 109' ' ' LEU . 2.4 t -70.62 124.61 27.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.24 3.08 65.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -146.6 101.4 4.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.412 ' O ' HD11 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.98 -44.92 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -76.49 -26.76 55.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -75.92 -42.5 25.02 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.459 ' CD ' HD13 ' A' ' 49' ' ' LEU . 14.4 pt20 -66.29 -38.64 88.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.742 . . . . 0.0 110.338 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 120' ' ' GLN . . . -63.41 -39.51 94.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.21 -22.05 52.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.462 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -79.04 -42.21 27.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.517 HD21 ' CE ' ' A' ' 113' ' ' MET . 1.4 mt -73.39 -169.87 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -118.22 157.31 49.32 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 108.24 2.67 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.26 -45.1 0.81 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.489 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 8.3 mt-10 -56.93 -37.89 72.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.829 ' HA ' HD12 ' A' ' 132' ' ' ILE . 1.4 mt -60.52 -45.91 92.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.2 t -59.23 -39.8 79.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.71 86.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.829 HD12 ' HA ' ' A' ' 129' ' ' LEU . 6.4 mt -69.22 -38.92 78.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.42 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 5.9 m -64.59 -48.91 73.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.432 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.37 -48.14 76.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.2 m -60.36 -34.71 74.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.81 -43.12 76.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.505 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -65.7 -40.34 92.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -62.6 -36.88 84.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.42 -27.96 66.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.517 ' CE2' HD23 ' A' ' 61' ' ' LEU . 1.6 t80 -68.37 -50.26 54.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.132 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.426 ' HG3' ' HE3' ' A' ' 37' ' ' MET . 5.4 mtp180 -61.86 -25.07 67.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -72.51 -35.44 68.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.269 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.791 HG22 ' HB3' ' A' ' 68' ' ' LEU . 30.2 t -81.25 -43.52 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.35 -50.04 75.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 147' ' ' ALA . 6.2 mtt-85 -73.3 -44.93 58.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.1 tt 66.0 -75.04 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 145' ' ' ARG . . . -137.47 -174.78 3.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -82.17 121.06 78.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 141.99 27.42 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.807 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 151' ' ' GLY . . . -103.1 151.73 22.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.452 ' O ' ' HB3' ' A' ' 154' ' ' ALA . . . -37.46 108.44 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.44 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo -74.99 -46.93 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' TRP . . . . . 0.813 ' HA ' HD12 ' A' ' 156' ' ' ILE . 27.2 p90 -51.9 -27.39 12.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 108.008 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 151' ' ' GLY . . . -62.91 -32.66 73.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.4 -22.03 41.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.813 HD12 ' HA ' ' A' ' 153' ' ' TRP . 12.8 mt -82.99 120.71 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.616 ' C ' ' CE2' ' A' ' 167' ' ' PHE . 1.5 m -130.49 132.14 45.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.401 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.644 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 1.4 tm0? -62.0 121.89 14.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -122.72 156.47 17.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.15 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.78 18.36 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.482 1.78 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 59.6 p -78.98 -23.39 44.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 0.0 110.04 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -113.93 135.64 53.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.39 133.44 55.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.596 ' O ' ' HB2' ' A' ' 168' ' ' ALA . 1.9 t80 -55.85 -39.71 71.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 111.043 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.983 ' CG2' HD11 ' A' ' 223' ' ' LEU . 0.9 OUTLIER -70.99 -52.11 30.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.15 -49.0 75.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.664 ' CE2' HG22 ' A' ' 156' ' ' ILE . 5.2 t80 -68.29 -33.59 74.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 164' ' ' PHE . . . -61.95 -51.02 69.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 169' ' ' ASN . . . . . 0.522 ' HA ' HG12 ' A' ' 172' ' ' ILE . 75.3 m-20 -52.61 -42.6 64.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.243 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -56.82 -36.54 70.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.591 HD21 ' HB2' ' A' ' 153' ' ' TRP . 0.2 OUTLIER -69.06 -32.25 71.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.838 ' CD1' HG21 ' A' ' 189' ' ' ILE . 2.1 mm -68.42 -43.67 83.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 173' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 176' ' ' GLU . 0.0 OUTLIER -67.27 -33.87 76.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.22 -52.87 16.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 0.918 HG12 ' HG3' ' A' ' 185' ' ' ARG . 70.1 t -60.42 -49.17 85.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 173' ' ' LYS . 0.3 OUTLIER -64.98 -31.85 73.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -97.1 23.85 33.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 80.3 p -122.37 166.3 14.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.983 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -80.34 65.32 5.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.673 HD11 ' CZ3' ' A' ' 153' ' ' TRP . 15.2 mt -111.54 155.21 43.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.4 Cg_endo -75.0 159.71 41.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.781 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 57.47 4.57 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 20.7 t -167.79 -41.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.038 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.644 ' HB1' HG21 ' A' ' 188' ' ' VAL . . . -71.13 -11.35 60.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 185' ' ' ARG . . . . . 0.918 ' HG3' HG12 ' A' ' 175' ' ' VAL . 0.6 OUTLIER -80.88 65.19 5.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 110.346 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.953 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 179.09 -59.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 187' ' ' PRO . . . . . 0.953 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.1 Cg_endo -75.04 -28.53 9.02 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.644 HG21 ' HB1' ' A' ' 184' ' ' ALA . 66.5 t -67.44 -38.9 81.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.838 HG21 ' CD1' ' A' ' 172' ' ' ILE . 7.7 mt -67.5 -48.61 76.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 190' ' ' ILE . . . . . 0.735 HD11 ' C ' ' A' ' 214' ' ' THR . 63.8 mt -66.02 -35.88 76.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.175 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -40.15 89.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 24.0 m -54.24 -43.65 71.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.316 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 193' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -59.4 -50.35 74.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 194' ' ' ARG . . . . . 0.62 ' HB3' HG21 ' A' ' 205' ' ' ILE . 0.0 OUTLIER -87.18 19.71 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -106.39 -32.31 8.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.253 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.57 73.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 197' ' ' SER . . . . . . . . . . . . . 38.3 p -142.8 163.1 33.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 198' ' ' GLN . . . . . 0.41 ' O ' ' CB ' ' A' ' 202' ' ' GLN . 2.4 mp0 -43.79 167.07 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -37.35 2.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -49.14 70.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 8.4 mm -68.99 -35.99 71.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 202' ' ' GLN . . . . . 0.42 ' NE2' ' HB2' ' A' ' 194' ' ' ARG . 9.7 tp60 -70.43 -48.53 55.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -61.41 -27.86 68.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.67 HD23 ' CE2' ' A' ' 221' ' ' TYR . 0.2 OUTLIER -67.28 -51.09 57.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.62 HG21 ' HB3' ' A' ' 194' ' ' ARG . 0.5 OUTLIER -65.54 -44.09 94.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -62.86 -33.26 74.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -91.59 -5.57 53.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 208' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -64.41 155.65 79.67 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 209' ' ' PRO . . . . . 0.709 ' HB2' HG22 ' A' ' 211' ' ' THR . 18.3 Cg_endo -74.99 146.91 33.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 1.5 p -66.12 -9.73 34.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 211' ' ' THR . . . . . 0.858 HG23 ' CD2' ' A' ' 212' ' ' LEU . 14.9 t -72.74 -12.28 60.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.432 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 212' ' ' LEU . . . . . 0.884 ' O ' HG23 ' A' ' 213' ' ' THR . 1.0 OUTLIER -111.36 135.27 52.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.884 HG23 ' O ' ' A' ' 212' ' ' LEU . 0.7 OUTLIER -167.13 30.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.38 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 214' ' ' THR . . . . . 0.735 ' C ' HD11 ' A' ' 190' ' ' ILE . 14.6 p -129.19 154.58 80.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 55.02 3.82 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.46 1.768 . . . . 0.0 111.041 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -161.3 -51.23 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 217' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 217' ' ' GLU . 0.8 OUTLIER -73.67 -34.27 64.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 110.323 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 218' ' ' ILE . . . . . 0.476 HG12 HD13 ' A' ' 190' ' ' ILE . 1.1 mp -63.09 -44.83 99.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 219' ' ' ILE . . . . . 0.589 HG23 ' CE2' ' A' ' 164' ' ' PHE . 4.4 mt -73.75 -45.27 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.36 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -56.7 -38.04 71.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.67 ' CE2' HD23 ' A' ' 204' ' ' LEU . 7.1 t80 -74.23 -45.46 47.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.501 ' HA ' HD22 ' A' ' 204' ' ' LEU . 2.6 t -59.75 -49.47 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.983 HD11 ' CG2' ' A' ' 165' ' ' VAL . 78.4 mt -61.53 -42.53 98.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.58 -31.02 71.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 225' ' ' ARG . . . . . 0.549 ' CB ' HD21 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -79.68 -37.65 35.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -51.54 -55.99 15.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 1.5 mttt 64.68 147.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 2.6 mp -96.67 -59.51 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . -82.36 154.75 69.26 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.2 0 O-C-N 124.487 1.782 . . . . 0.0 110.986 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 13.8 m95 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.7 m -132.13 105.37 13.66 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.2 31.1 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.432 1.754 . . . . 0.0 111.05 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.516 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -86.11 100.29 12.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.539 ' OE2' ' CD1' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -135.36 158.54 74.31 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.243 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.78 2.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -58.61 -46.47 86.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.539 ' CD1' ' OE2' ' A' ' 15' ' ' GLU . 56.1 mt -70.31 -48.28 57.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.624 HG23 ' CD1' ' A' ' 56' ' ' LEU . 46.1 mt -57.62 -41.01 78.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -69.38 -38.08 77.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.397 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -64.69 -49.43 70.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.352 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.465 HD13 ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -67.57 -42.71 82.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.424 ' CB ' HG12 ' A' ' 59' ' ' VAL . . . -59.87 -34.62 73.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -62.78 -44.71 95.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.492 HG22 ' CD ' ' A' ' 39' ' ' GLU . 1.3 m -62.44 -37.42 85.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.454 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.865 HG13 ' OG1' ' A' ' 36' ' ' THR . 55.9 t -58.29 -41.64 81.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.1 ttm-85 -67.03 -48.8 67.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.5 p -69.65 -21.28 63.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HB3' ' CG2' ' A' ' 35' ' ' ILE . 17.8 mmtt -94.76 -13.95 25.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.87 122.16 3.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.512 HD21 ' CE1' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -66.72 -23.9 66.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.771 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.39 2.35 56.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.78 165.47 22.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.968 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -40.04 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.502 1.79 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -47.38 -31.6 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.865 ' OG1' HG13 ' A' ' 26' ' ' VAL . 1.2 m -62.57 -49.09 76.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.389 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -40.11 95.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.05 -45.44 73.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.56 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 11.0 mt-10 -61.68 -47.86 83.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.663 HG22 HD13 ' A' ' 60' ' ' ILE . 35.4 t -59.95 -44.98 95.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.5 mt-10 -66.97 -23.67 65.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -62.55 -55.49 26.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.728 HD11 HD21 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -72.87 -42.58 63.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.513 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 29.6 mtt -71.89 -10.29 59.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 41' ' ' GLU . 94.3 p -37.42 -31.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -108.1 165.95 11.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 149.43 36.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.798 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.538 HD13 ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -150.33 165.61 32.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.812 ' O ' HG23 ' A' ' 53' ' ' VAL . 10.5 mt -67.67 163.33 49.59 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.02 -31.19 6.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.79 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.443 ' O ' ' OG1' ' A' ' 54' ' ' THR . 2.5 t60 -67.87 -42.37 81.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.608 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.52 -31.15 72.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 49' ' ' LEU . 55.3 t -59.36 -47.61 89.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.532 ' CG2' ' HE1' ' A' ' 70' ' ' MET . 16.1 p -66.51 -38.81 88.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -43.62 90.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.728 HD21 HD11 ' A' ' 43' ' ' LEU . 6.6 tp -66.32 -50.66 62.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.583 ' SD ' HD21 ' A' ' 61' ' ' LEU . 11.6 mmt -57.09 -42.33 80.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 111.045 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 61' ' ' LEU . 3.5 ttt180 -56.3 -36.2 68.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.469 HG11 HG22 ' A' ' 19' ' ' ILE . 53.5 t -75.15 -46.32 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.663 HD13 HG22 ' A' ' 40' ' ' VAL . 35.6 mt -63.71 -44.43 98.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.749 HD22 ' CE1' ' A' ' 140' ' ' PHE . 0.5 OUTLIER -122.12 131.74 54.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.586 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -50.14 -176.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.451 1.095 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.455 ' HA ' ' HB3' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.97 -24.82 12.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.539 1.81 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.899 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -64.64 -56.39 22.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.899 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.97 -22.18 15.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.548 ' CZ ' ' SD ' ' A' ' 70' ' ' MET . 3.4 t80 -54.75 -45.06 74.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.66 -30.14 71.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.845 ' HB3' HG22 ' A' ' 143' ' ' VAL . 8.8 mp -70.94 -37.48 72.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.721 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 7.8 t90 -71.27 -34.44 70.69 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.548 ' SD ' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -65.86 -37.45 86.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -67.15 -47.35 71.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.17 -43.44 82.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.721 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 12.8 t90 -54.52 -38.61 66.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 108.003 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.67 -44.63 97.65 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.537 1.148 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.6 t -68.58 -46.99 79.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.417 ' O ' ' HB ' ' A' ' 79' ' ' THR . 2.2 mp0 -57.53 -46.26 84.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.767 ' CD2' HD13 ' A' ' 106' ' ' LEU . 4.4 mt -60.53 -45.81 92.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.521 ' HA ' HD13 ' A' ' 103' ' ' LEU . 58.1 mt-30 -62.61 -29.23 70.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.509 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 0.8 OUTLIER -64.99 -34.83 79.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.381 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 37.6 t -68.11 -50.71 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.971 HG13 HG23 ' A' ' 101' ' ' THR . 1.6 mp -63.17 -49.95 81.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.55 -39.51 84.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 79' ' ' THR . . . -58.7 -48.18 81.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.64 ' HB2' ' CB ' ' A' ' 90' ' ' HIS . . . -65.74 -40.29 91.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.5 m -61.12 -39.82 91.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -74.97 -43.35 54.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -132.9 120.82 16.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.89 3.77 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 111.017 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.03 6.36 6.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.64 ' CB ' ' HB2' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -85.26 134.11 41.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.613 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.462 ' O ' ' NH2' ' A' ' 125' ' ' ARG . 18.1 Cg_endo -75.0 -21.09 16.21 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.9 -16.1 26.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.45 ' O ' ' OD1' ' A' ' 93' ' ' ASN . 46.3 p-10 -86.38 155.22 20.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.81 -126.55 0.09 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -170.16 50.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.751 . . . . 0.0 110.32 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -115.57 -167.27 15.11 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.432 ' NH1' ' HB2' ' A' ' 97' ' ' ARG . 14.1 ttm105 -86.13 0.17 54.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 179.41 47.71 0.08 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.09 -76.19 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 64.34 142.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.971 HG23 HG13 ' A' ' 81' ' ' ILE . 14.4 t -71.26 164.45 25.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.361 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -144.35 151.05 38.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.676 HD11 ' HB3' ' A' ' 77' ' ' LEU . 6.1 tp -63.88 -45.93 87.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.496 ' HA ' ' CG ' ' A' ' 107' ' ' LYS . 0.2 OUTLIER -55.26 -37.63 67.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -36.34 61.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.767 HD13 ' CD2' ' A' ' 77' ' ' LEU . 69.8 mt -87.65 -26.17 23.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.496 ' CG ' ' HA ' ' A' ' 104' ' ' ASP . 9.0 mmtt -50.05 -43.81 51.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 101.78 -1.91 52.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.438 1.087 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.618 ' HA ' HG22 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -81.71 3.96 23.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 0.796 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.788 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.13 132.98 55.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.38 123.77 9.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.088 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.08 -17.8 58.62 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.54 1.15 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.788 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 26.0 mtp -101.67 -5.15 25.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 0.742 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.618 HG22 ' HA ' ' A' ' 109' ' ' LEU . 2.1 t -96.18 128.95 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 76.93 3.16 80.06 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.472 1.108 . . . . 0.0 111.03 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -129.3 110.98 18.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -80.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -54.98 -33.45 62.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.92 -42.09 95.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.486 ' HG3' HD21 ' A' ' 124' ' ' LEU . 25.3 tt0 -62.53 -44.91 95.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.59 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -65.62 -28.96 69.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.94 -14.34 59.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.742 HD13 ' HG3' ' A' ' 113' ' ' MET . 0.8 OUTLIER -89.04 -20.79 23.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.486 HD21 ' HG3' ' A' ' 120' ' ' GLN . 0.2 OUTLIER -124.82 127.42 47.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.462 ' NH2' ' O ' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -55.73 159.74 4.86 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.243 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 125' ' ' ARG . 18.4 Cg_endo -74.99 107.85 2.58 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.488 1.783 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 171.42 -45.03 0.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.684 ' HG2' HD21 ' A' ' 106' ' ' LEU . 1.6 mt-10 -62.22 -31.8 72.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.288 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.595 ' CD2' HD23 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -60.71 -43.5 97.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.43 -39.8 80.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.36 96.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.59 HD12 ' HA ' ' A' ' 129' ' ' LEU . 13.5 mt -69.41 -38.67 77.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.469 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 32.0 m -67.89 -39.7 83.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.417 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.6 -46.1 70.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.1 m -66.91 -33.73 76.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.71 -42.62 97.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.513 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -69.49 -34.02 73.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -69.66 -41.3 75.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.9 -33.54 74.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.749 ' CE1' HD22 ' A' ' 61' ' ' LEU . 8.0 t80 -64.52 -60.57 2.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -52.84 -24.9 9.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -69.91 -40.21 75.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.845 HG22 ' HB3' ' A' ' 68' ' ' LEU . 4.9 t -72.35 -35.89 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -70.12 -49.92 45.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.4 -7.12 53.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.351 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -40.18 -70.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -177.02 -47.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -68.1 114.19 19.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 176.14 10.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.78 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -103.5 151.86 22.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.42 ' HA3' ' CZ3' ' A' ' 153' ' ' TRP . . . -47.38 116.32 2.6 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 155' ' ' ASP . 18.2 Cg_endo -75.04 -20.06 17.15 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' TRP . . . . . 0.836 ' HA ' HD12 ' A' ' 156' ' ' ILE . 5.6 p90 -51.6 -31.92 26.81 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.66 -32.77 73.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 152' ' ' PRO . 0.5 OUTLIER -79.72 -21.79 44.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.88 HG22 ' CE1' ' A' ' 167' ' ' PHE . 17.2 mt -82.1 120.85 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.601 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 21.8 p -125.22 145.01 50.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.582 ' CG ' ' CD2' ' A' ' 167' ' ' PHE . 0.1 OUTLIER -85.96 129.44 34.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -126.1 166.25 18.95 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -27.51 9.9 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.447 1.762 . . . . 0.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.35 -23.11 60.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.586 1.179 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -108.52 135.12 50.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.94 135.08 56.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.62 ' CE2' HG23 ' A' ' 219' ' ' ILE . 1.7 t80 -56.52 -49.22 75.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.972 HG23 HG21 ' A' ' 219' ' ' ILE . 0.5 OUTLIER -66.92 -42.43 88.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -58.14 -47.9 81.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.896 ' CZ ' HD12 ' A' ' 171' ' ' LEU . 12.9 t80 -67.34 -42.74 83.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.47 -34.12 64.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -67.28 -51.44 52.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -37.39 77.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.896 HD12 ' CZ ' ' A' ' 167' ' ' PHE . 3.8 tt -70.28 -45.62 65.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.625 HG12 HD13 ' A' ' 189' ' ' ILE . 37.4 mt -59.41 -49.25 84.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -37.72 77.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.514 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -65.59 -51.78 57.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 0.552 HG13 HD12 ' A' ' 180' ' ' LEU . 48.5 t -57.27 -47.91 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.447 ' OE1' HG22 ' A' ' 172' ' ' ILE . 28.6 mt-10 -54.32 -36.45 63.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.244 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -99.94 32.62 7.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 60.0 p -124.67 165.86 17.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.767 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 36.0 p-10 -84.58 85.66 7.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.631 HD11 ' CH2' ' A' ' 153' ' ' TRP . 13.0 mt -130.75 152.4 80.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.599 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.3 Cg_endo -74.97 162.18 37.61 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 72.7 4.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.29 -33.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.599 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -80.65 -11.71 59.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 185' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 45.8 mtp180 -84.21 70.05 10.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.896 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 175.46 -57.39 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 187' ' ' PRO . . . . . 0.896 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.4 Cg_endo -74.98 -26.91 10.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.455 1.766 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 184' ' ' ALA . 72.9 t -67.94 -40.29 83.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.625 HD13 HG12 ' A' ' 172' ' ' ILE . 23.7 mt -66.96 -48.23 80.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 190' ' ' ILE . . . . . 0.736 HD11 ' C ' ' A' ' 214' ' ' THR . 68.6 mt -65.65 -43.01 93.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 191' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 195' ' ' GLN . 50.6 t0 -63.27 -38.1 89.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 192' ' ' CYS . . . . . 0.415 ' HA ' ' HB2' ' A' ' 195' ' ' GLN . 12.4 m -53.32 -46.21 69.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 108.33 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 193' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -57.74 -48.92 78.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.91 16.73 4.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 195' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 191' ' ' ASP . 0.0 OUTLIER -96.82 -48.21 5.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 110.334 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm -156.01 67.56 0.61 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 197' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 198' ' ' GLN . 2.3 m -141.95 165.31 27.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 198' ' ' GLN . . . . . 0.431 ' HG2' ' HB ' ' A' ' 201' ' ' ILE . 0.0 OUTLIER -36.66 154.2 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -34.2 4.04 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.519 1.8 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.99 -50.73 72.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.699 HD12 HG11 ' A' ' 222' ' ' VAL . 3.9 mm -69.33 -45.57 78.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -58.94 -40.98 86.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 203' ' ' GLN . . . . . 0.439 ' OE1' ' HB2' ' A' ' 207' ' ' ALA . 2.6 tp-100 -65.27 -38.85 91.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.829 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.5 OUTLIER -63.78 -49.07 74.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.451 ' O ' ' HB3' ' A' ' 208' ' ' ALA . 0.5 OUTLIER -63.92 -39.68 86.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -63.83 -33.85 76.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 207' ' ' ALA . . . . . 0.439 ' HB2' ' OE1' ' A' ' 203' ' ' GLN . . . -89.96 4.91 48.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 208' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -62.39 155.53 66.58 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 209' ' ' PRO . . . . . 0.685 ' HG2' HD11 ' A' ' 212' ' ' LEU . 18.3 Cg_endo -75.04 155.48 42.75 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.435 1.755 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.18 23.93 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.966 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 2.5 m -111.6 -3.15 15.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 212' ' ' LEU . . . . . 0.694 ' O ' HG23 ' A' ' 213' ' ' THR . 0.4 OUTLIER -148.2 140.33 24.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 212' ' ' LEU . 2.3 p -160.09 45.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.43 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 214' ' ' THR . . . . . 0.736 ' C ' HD11 ' A' ' 190' ' ' ILE . 82.6 p -119.44 157.49 51.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 55.12 3.83 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.502 1.79 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -158.01 -57.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -73.96 -33.17 63.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 218' ' ' ILE . . . . . 0.59 HG12 HD13 ' A' ' 190' ' ' ILE . 1.3 mp -64.95 -38.6 83.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 219' ' ' ILE . . . . . 0.972 HG21 HG23 ' A' ' 165' ' ' VAL . 6.4 mt -75.56 -50.35 24.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.43 -37.19 69.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.576 ' CZ ' ' CD2' ' A' ' 204' ' ' LEU . 0.4 OUTLIER -65.86 -50.07 65.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 111.0 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.699 HG11 HD12 ' A' ' 201' ' ' ILE . 12.2 t -62.21 -42.81 96.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.22 -35.89 82.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -71.6 -34.32 69.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.352 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 225' ' ' ARG . . . . . 0.829 ' HB3' HD11 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -74.03 -40.64 62.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.238 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -52.41 -48.85 65.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 1.5 mttt 64.11 150.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 228' ' ' ILE . . . . . 0.698 HD13 ' HD2' ' A' ' 230' ' ' PRO . 0.2 OUTLIER -94.66 106.76 18.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 229' ' ' ALA . . . . . 0.787 ' HB3' ' HD3' ' A' ' 230' ' ' PRO . . . -70.85 -53.13 9.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 230' ' ' PRO . . . . . 0.787 ' HD3' ' HB3' ' A' ' 229' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.498 1.788 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.9 p -132.19 105.17 13.58 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 135.52 19.29 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.798 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.47 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.44 101.55 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -118.42 135.37 23.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -43.38 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.46 1.768 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.504 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -58.27 -35.94 72.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.504 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 62.8 mt -73.4 -47.87 38.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.527 HG22 HG11 ' A' ' 59' ' ' VAL . 23.6 mt -59.92 -36.0 64.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 m -65.57 -43.1 90.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.42 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -67.18 -48.9 66.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.628 HD22 HD23 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -63.08 -46.83 85.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.425 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -60.28 -31.97 70.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -61.64 -38.26 87.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.438 HG21 ' OE2' ' A' ' 39' ' ' GLU . 1.1 m -66.47 -37.51 85.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.586 HG22 HG23 ' A' ' 36' ' ' THR . 7.0 t -56.74 -45.41 82.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -48.49 81.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.7 p -67.96 -32.02 72.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 33' ' ' SER . 22.9 mmtm -82.62 -14.12 55.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 81.72 127.18 0.91 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.681 HD21 HD22 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -66.9 -24.94 66.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.05 -5.2 58.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -102.44 169.41 7.59 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.025 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.451 ' C ' ' H ' ' A' ' 36' ' ' THR . 18.5 Cg_endo -75.0 -169.99 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.49 1.784 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.45 ' HB ' ' O ' ' A' ' 34' ' ' PRO . 0.2 OUTLIER 77.68 -41.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.655 ' O ' HG23 ' A' ' 40' ' ' VAL . 28.0 m -56.71 -42.64 79.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.425 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -43.6 98.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.42 -41.11 73.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.484 ' HG2' HD21 ' A' ' 22' ' ' LEU . 3.2 mt-10 -59.91 -44.95 93.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 36' ' ' THR . 96.3 t -66.88 -49.02 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.12 -23.17 61.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -70.45 -55.91 7.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.726 ' CD1' HD21 ' A' ' 56' ' ' LEU . 1.4 pp -68.21 -47.55 67.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.952 ' HG2' HG23 ' A' ' 133' ' ' THR . 0.0 OUTLIER -73.92 -9.76 58.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 44' ' ' MET . 8.8 t -35.68 -39.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 44' ' ' MET . 0.3 OUTLIER -98.5 164.01 17.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.975 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 150.16 37.56 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.523 HD13 HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -154.24 165.97 34.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.659 HD13 ' CD ' ' A' ' 120' ' ' GLN . 0.7 OUTLIER -67.84 165.11 34.31 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -29.68 8.04 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.437 1.756 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.424 ' O ' ' OG1' ' A' ' 54' ' ' THR . 12.2 t60 -67.89 -40.43 83.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.598 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.416 ' HA ' ' OD1' ' A' ' 55' ' ' ASN . 0.7 OUTLIER -65.09 -31.48 72.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.585 HG12 ' CH2' ' A' ' 69' ' ' TRP . 17.0 t -60.95 -46.98 95.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 51' ' ' HIS . 33.6 p -66.74 -41.5 87.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.375 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.432 ' ND2' ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -66.02 -41.93 90.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.726 HD21 ' CD1' ' A' ' 43' ' ' LEU . 4.3 tp -66.89 -50.98 60.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.524 ' HG3' ' CE2' ' A' ' 69' ' ' TRP . 12.8 mmt -57.32 -43.43 83.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.13 -36.66 65.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.527 HG11 HG22 ' A' ' 19' ' ' ILE . 25.5 t -68.54 -34.31 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.712 HG22 HD23 ' A' ' 61' ' ' LEU . 40.8 mt -78.86 -44.32 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.712 HD23 HG22 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -124.79 134.82 52.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.492 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -61.46 -162.5 0.19 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.439 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.4 Cg_endo -74.93 -21.38 16.09 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.926 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.5 -58.45 3.73 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.926 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.99 5.34 4.04 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.439 ' HB2' ' HA ' ' A' ' 63' ' ' PRO . 0.8 OUTLIER -77.6 -51.31 10.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.956 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.18 -31.39 68.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.923 ' HB3' HG22 ' A' ' 143' ' ' VAL . 7.5 mp -65.59 -47.98 73.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.746 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 49.6 t90 -71.0 -38.99 72.68 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -43.39 94.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -65.05 -45.17 86.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.546 ' O ' ' NE2' ' A' ' 76' ' ' GLN . . . -70.03 -28.96 65.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.746 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 12.9 t90 -71.2 -41.51 70.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 107.992 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.65 -42.91 99.47 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.5 t -68.26 -46.93 80.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.546 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 2.6 mp0 -58.52 -46.47 86.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.613 ' CD2' HD13 ' A' ' 106' ' ' LEU . 3.2 mt -63.09 -45.85 90.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -58.62 -30.23 67.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -67.72 -36.28 80.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.603 HG13 ' NE2' ' A' ' 90' ' ' HIS . 73.1 t -71.47 -39.26 70.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.499 ' HA ' ' CG2' ' A' ' 101' ' ' THR . 47.5 mm -64.39 -50.2 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.49 -34.31 76.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 79' ' ' THR . . . -65.66 -35.61 81.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.719 ' HB2' ' HD2' ' A' ' 90' ' ' HIS . . . -67.82 -46.16 72.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -35.58 81.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.403 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -76.06 -43.55 43.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -111.02 116.66 51.38 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -1.13 10.81 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.521 1.801 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -99.44 24.3 8.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.719 ' HD2' ' HB2' ' A' ' 84' ' ' ALA . 1.0 OUTLIER -92.83 128.3 44.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.602 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.45 14.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.429 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -62.18 -23.67 66.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.577 ' HB3' ' HB1' ' A' ' 84' ' ' ALA . 23.1 p30 -104.48 154.64 19.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 131.51 109.26 1.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.542 1.151 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -166.09 -67.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.763 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -92.56 -159.34 35.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.4 0.09 30.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 110.265 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -103.27 -32.43 4.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 59.31 60.18 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.744 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.7 128.43 42.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.527 HG22 ' HB3' ' A' ' 84' ' ' ALA . 5.5 t -70.9 170.11 13.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.8 137.69 29.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.465 ' CD1' HG13 ' A' ' 81' ' ' ILE . 7.0 tp -56.5 -35.84 68.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -65.79 -43.65 88.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? -59.99 -46.82 88.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.613 HD13 ' CD2' ' A' ' 77' ' ' LEU . 9.7 mt -71.22 -23.87 62.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -51.9 68.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.75 ' O ' HG13 ' A' ' 114' ' ' VAL . . . 114.08 16.77 7.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.497 ' O ' ' CD1' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -100.45 4.83 44.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.64 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.38 147.61 30.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -59.24 122.66 14.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.262 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.71 -5.1 84.95 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.543 1.152 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.64 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 1.3 ttt -86.83 -31.81 20.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.76 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.75 HG13 ' O ' ' A' ' 108' ' ' GLY . 0.1 OUTLIER -98.22 136.18 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.69 3.38 64.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -153.67 106.97 2.53 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.465 0.744 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.465 ' HA ' ' CD1' ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.01 -49.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.449 1.762 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -77.83 -27.92 50.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.354 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -74.63 -43.19 30.22 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.473 1.108 . . . . 0.0 111.067 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.659 ' CD ' HD13 ' A' ' 49' ' ' LEU . 6.7 pt20 -66.48 -44.41 82.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 0.725 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' A' ' 120' ' ' GLN . . . -57.79 -36.02 71.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.42 -18.11 57.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.983 ' O ' HD23 ' A' ' 123' ' ' LEU . 6.9 tt -80.12 -16.1 55.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.482 HD22 ' HE3' ' A' ' 113' ' ' MET . 0.1 OUTLIER -127.88 127.1 42.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.67 157.16 1.99 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 108.68 2.77 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.552 1.817 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.25 -46.73 0.3 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.577 1.173 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.429 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 12.4 mt-10 -58.71 -32.58 69.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.81 ' HA ' HD12 ' A' ' 132' ' ' ILE . 0.6 OUTLIER -59.29 -47.04 86.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 64.0 t -58.81 -39.63 77.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.89 -41.3 97.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.81 HD12 ' HA ' ' A' ' 129' ' ' LEU . 5.3 mt -69.18 -38.53 78.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.952 HG23 ' HG2' ' A' ' 44' ' ' MET . 87.8 m -67.03 -41.85 85.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.38 -48.32 61.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.2 m -63.03 -34.05 76.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 110.042 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.78 -43.08 89.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -36.1 83.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.125 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -63.36 -37.36 86.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.439 ' HA ' ' HB1' ' A' ' 72' ' ' ALA . . . -67.61 -29.2 68.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.071 . . . . 0.0 109.355 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.529 ' CZ ' ' CG2' ' A' ' 36' ' ' THR . 2.2 t80 -66.28 -47.97 71.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -63.56 -25.45 68.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -71.48 -42.09 68.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.923 HG22 ' HB3' ' A' ' 68' ' ' LEU . 31.2 t -69.14 -43.43 81.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.06 -19.96 61.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -34.88 70.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -40.6 -89.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.44 100.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 149' ' ' PRO . 0.6 OUTLIER -68.07 138.65 92.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 148' ' ' GLU . 18.3 Cg_endo -75.04 170.57 20.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.496 1.788 . . . . 0.0 111.036 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -103.78 145.29 30.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 154' ' ' ALA . . . 161.1 74.71 0.02 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 155' ' ' ASP . 18.3 Cg_endo -75.04 -46.97 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.432 1.754 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 153' ' ' TRP . . . . . 0.702 ' CH2' HD11 ' A' ' 180' ' ' LEU . 3.2 p90 -51.95 -28.97 18.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 108.022 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 151' ' ' GLY . . . -63.23 -32.96 74.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 152' ' ' PRO . 1.3 p30 -82.47 -21.05 35.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.609 HD11 ' HB2' ' A' ' 174' ' ' ALA . 40.4 mt -76.37 120.8 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.607 HG23 ' HG2' ' A' ' 196' ' ' LYS . 3.2 m -120.62 130.43 54.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.442 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.576 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 27.9 tp60 -70.39 130.3 41.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -122.7 154.05 16.97 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -17.75 19.25 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.8 -22.17 31.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.67 135.23 44.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.72 138.88 55.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 110.026 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.773 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.8 OUTLIER -59.74 -39.1 83.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.759 ' CG2' HD11 ' A' ' 223' ' ' LEU . 1.7 t -71.26 -48.5 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.33 -43.32 78.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.601 ' CE2' HD12 ' A' ' 171' ' ' LEU . 90.7 t80 -69.7 -34.98 74.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -61.63 -43.05 99.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -61.0 -46.53 90.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 61.6 mtt-85 -59.78 -37.34 78.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.601 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.4 OUTLIER -70.44 -47.21 61.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.515 ' CG1' HG21 ' A' ' 189' ' ' ILE . 45.1 mt -59.39 -41.5 84.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -64.31 -36.6 84.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.609 ' HB2' HD11 ' A' ' 156' ' ' ILE . . . -68.83 -52.98 24.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 0.528 HG13 HD12 ' A' ' 180' ' ' LEU . 56.0 t -57.15 -48.16 82.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -53.02 -34.93 58.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -107.45 34.55 5.6 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.477 1.11 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 52.9 p -123.8 166.18 16.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.776 . . . . 0.0 110.015 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.81 87.69 7.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.702 HD11 ' CH2' ' A' ' 153' ' ' TRP . 18.1 mt -130.42 154.52 81.58 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.63 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.4 Cg_endo -75.03 164.78 32.63 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.789 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 182' ' ' PRO . . . . . 0.471 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.5 Cg_endo -74.97 79.0 2.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 0.0 111.048 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 183' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.6 OUTLIER 161.6 -27.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.63 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -80.61 -11.6 59.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 185' ' ' ARG . . . . . 0.544 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 22.6 mtm180 -85.41 70.17 10.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.889 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 173.28 -56.66 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 187' ' ' PRO . . . . . 0.889 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.1 Cg_endo -75.04 -32.03 5.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 30.6 t -65.03 -42.44 94.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 189' ' ' ILE . . . . . 0.739 HG22 ' CZ ' ' A' ' 193' ' ' PHE . 42.5 mt -68.15 -45.23 83.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 190' ' ' ILE . . . . . 0.76 HD11 ' C ' ' A' ' 214' ' ' THR . 71.2 mt -63.57 -45.21 98.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 191' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 195' ' ' GLN . 36.6 t70 -59.75 -37.41 78.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 192' ' ' CYS . . . . . 0.532 ' HB3' HD11 ' A' ' 171' ' ' LEU . 55.7 m -56.99 -40.97 77.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 108.312 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 193' ' ' PHE . . . . . 0.739 ' CZ ' HG22 ' A' ' 189' ' ' ILE . 9.1 m-30 -64.98 -27.14 68.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 194' ' ' ARG . . . . . 0.515 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 0.0 OUTLIER -117.79 27.7 8.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 195' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 191' ' ' ASP . 4.1 tm0? -119.59 -40.98 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 196' ' ' LYS . . . . . 0.607 ' HG2' HG23 ' A' ' 157' ' ' THR . 0.2 OUTLIER -115.23 -50.36 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 197' ' ' SER . . . . . 0.469 ' CB ' ' HG2' ' A' ' 158' ' ' GLN . 0.7 OUTLIER -37.39 155.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.449 1.093 . . . . 0.0 109.984 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 198' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 197' ' ' SER . 1.2 mp0 -45.19 170.45 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 199' ' ' PRO . . . . . 0.429 ' O ' ' HG3' ' A' ' 202' ' ' GLN . 18.3 Cg_endo -75.02 -32.47 5.33 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -41.37 95.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 7.2 mm -73.44 -46.08 50.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 202' ' ' GLN . . . . . 0.562 ' HG3' ' N ' ' A' ' 203' ' ' GLN . 0.0 OUTLIER -62.24 -36.15 81.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 203' ' ' GLN . . . . . 0.562 ' N ' ' HG3' ' A' ' 202' ' ' GLN . 3.7 mm100 -64.57 -34.59 78.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.632 HD21 ' CB ' ' A' ' 225' ' ' ARG . 0.3 OUTLIER -64.93 -49.96 68.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.553 ' O ' ' HB3' ' A' ' 208' ' ' ALA . 0.3 OUTLIER -63.51 -46.36 95.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 206' ' ' ARG . . . . . 0.431 ' NH1' ' OE1' ' A' ' 203' ' ' GLN . 0.0 OUTLIER -61.6 -33.51 74.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -88.12 -6.17 58.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 208' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -61.78 159.74 32.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 209' ' ' PRO . . . . . 0.571 ' HB2' HG22 ' A' ' 211' ' ' THR . 18.2 Cg_endo -74.95 148.59 35.74 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -8.45 31.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.977 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 211' ' ' THR . . . . . 0.961 HG23 HD23 ' A' ' 212' ' ' LEU . 13.0 t -73.97 -13.23 60.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 212' ' ' LEU . . . . . 0.961 HD23 HG23 ' A' ' 211' ' ' THR . 0.6 OUTLIER -112.62 133.04 54.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 213' ' ' THR . . . . . 0.809 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.1 p -163.27 34.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.439 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 214' ' ' THR . . . . . 0.76 ' C ' HD11 ' A' ' 190' ' ' ILE . 1.8 p -129.89 155.4 80.59 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.42 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.09 3.85 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.475 1.776 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -162.72 -61.53 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.534 1.147 . . . . 0.0 111.018 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 217' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' A' ' 217' ' ' GLU . 2.7 mp0 -61.97 -33.24 73.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 218' ' ' ILE . . . . . 0.466 HG12 ' CG2' ' A' ' 190' ' ' ILE . 1.1 mp -62.15 -42.42 95.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 219' ' ' ILE . . . . . 0.773 HG23 ' CE2' ' A' ' 164' ' ' PHE . 3.9 mt -75.49 -48.74 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.27 -34.71 64.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.449 ' CE2' ' HB2' ' A' ' 208' ' ' ALA . 11.4 t80 -74.26 -46.07 43.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.432 HG22 ' HB3' ' A' ' 204' ' ' LEU . 4.0 t -60.61 -42.3 91.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.759 HD11 ' CG2' ' A' ' 165' ' ' VAL . 93.6 mt -67.12 -36.49 82.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.587 1.18 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.99 -38.16 85.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.36 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 225' ' ' ARG . . . . . 0.632 ' CB ' HD21 ' A' ' 204' ' ' LEU . 0.8 OUTLIER -75.83 -36.89 59.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -52.67 -56.0 18.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -77.12 143.52 39.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 228' ' ' ILE . . . . . 0.636 ' O ' ' HB2' ' A' ' 229' ' ' ALA . 2.0 mp 64.14 162.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 229' ' ' ALA . . . . . 0.838 ' HB3' ' HD3' ' A' ' 230' ' ' PRO . . . 167.04 -53.99 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 230' ' ' PRO . . . . . 0.838 ' HD3' ' HB3' ' A' ' 229' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.752 ' CG ' HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 20' ' ' THR . 18.2 Cg_endo -74.99 -23.68 13.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.487 1.783 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 58.8 pttt -57.4 -44.89 84.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.752 HD12 ' CG ' ' A' ' 15' ' ' GLU . 34.2 mt -65.53 -47.79 74.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.528 HG22 HG11 ' A' ' 59' ' ' VAL . 14.1 mt -63.5 -35.68 73.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 16' ' ' PRO . 3.3 m -61.45 -42.96 99.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.431 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.489 ' CG ' ' N ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.59 -42.75 98.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.546 HD13 ' HB3' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -67.2 -45.5 76.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.417 ' HB2' HG12 ' A' ' 60' ' ' ILE . . . -63.92 -31.24 72.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.97 ' O ' HG23 ' A' ' 28' ' ' THR . 5.5 t70 -60.8 -42.36 97.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.506 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.9 m -65.59 -38.05 88.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.404 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.894 ' CG1' HG23 ' A' ' 36' ' ' THR . 52.5 t -60.53 -49.08 85.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -45.72 91.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.97 HG23 ' O ' ' A' ' 24' ' ' ASP . 70.4 p -63.99 -30.37 71.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.585 ' CB ' HG21 ' A' ' 35' ' ' ILE . 12.9 mmtt -88.52 -14.36 37.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 102.65 127.25 6.05 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.857 HD22 HG12 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -67.32 -30.12 69.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 109.306 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.493 ' CZ ' ' O ' ' A' ' 144' ' ' ALA . 3.8 mtt-85 -89.01 2.19 54.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.72 163.57 43.39 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.974 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.431 ' C ' ' N ' ' A' ' 36' ' ' THR . 18.4 Cg_endo -74.98 -38.23 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.807 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.585 HG21 ' CB ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -45.25 -26.18 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.894 HG23 ' CG1' ' A' ' 26' ' ' VAL . 87.6 m -58.31 -49.19 78.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.378 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.576 ' SD ' HD23 ' A' ' 137' ' ' LEU . 18.2 mmt -64.39 -32.55 74.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.06 -52.38 24.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.539 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -62.14 -47.47 84.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 36' ' ' THR . 56.3 t -60.38 -44.11 95.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 45' ' ' SER . 37.6 mt-10 -66.27 -24.4 66.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -63.31 -55.02 28.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.244 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.742 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -72.04 -48.93 40.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.518 ' HB3' HG22 ' A' ' 133' ' ' THR . 24.2 mtt -68.5 -10.59 56.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' GLU . 11.3 t -37.2 -32.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -106.97 164.82 14.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 149.18 36.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.856 HD13 HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -146.83 -173.29 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.627 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -90.7 163.29 30.82 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.593 ' O ' HG23 ' A' ' 54' ' ' THR . 18.3 Cg_endo -74.94 -32.44 5.48 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -67.29 -48.88 66.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -63.22 -32.66 74.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.856 HG23 HD13 ' A' ' 48' ' ' LEU . 2.4 t -55.02 -46.34 77.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 50' ' ' PRO . 30.6 p -66.59 -40.71 89.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -62.17 -40.78 97.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.742 HD21 ' CD1' ' A' ' 43' ' ' LEU . 7.0 tp -66.79 -53.59 31.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.551 ' O ' HD23 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -56.98 -40.15 76.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.968 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -57.53 -35.65 70.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.528 HG11 HG22 ' A' ' 19' ' ' ILE . 13.4 t -74.61 -40.14 47.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.417 HG12 ' HB2' ' A' ' 23' ' ' ALA . 2.4 mt -71.16 -44.62 73.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.583 HD22 ' CE2' ' A' ' 140' ' ' PHE . 0.4 OUTLIER -120.42 135.0 55.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.574 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -49.05 -179.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.579 1.174 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.439 ' HA ' ' HB3' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.99 -23.89 13.37 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.544 1.813 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.902 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -65.21 -56.4 20.2 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.902 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.05 -22.14 15.04 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.506 1.793 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.444 ' OH ' ' CE ' ' A' ' 70' ' ' MET . 33.5 t80 -54.51 -46.85 73.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.78 -37.66 87.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.518 ' HB3' HG22 ' A' ' 143' ' ' VAL . 6.8 mp -63.74 -31.26 72.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.689 ' CH2' ' CE3' ' A' ' 73' ' ' TRP . 38.4 t90 -70.33 -34.66 72.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 107.975 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.444 ' CE ' ' OH ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -62.63 -42.16 99.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -63.37 -46.95 84.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.13 71.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.689 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 11.5 t90 -66.06 -41.17 91.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 108.004 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.441 ' O ' ' NE2' ' A' ' 78' ' ' GLN . . . -58.96 -45.64 94.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.14 -47.53 78.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.464 ' O ' HG22 ' A' ' 79' ' ' THR . 89.6 mm-40 -56.21 -42.73 77.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.639 ' CD2' HD13 ' A' ' 106' ' ' LEU . 2.1 mt -64.88 -46.24 82.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 74' ' ' GLY . 25.3 mt-30 -59.84 -37.59 79.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 76' ' ' GLN . 0.5 OUTLIER -62.1 -35.62 79.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.396 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.66 -38.5 73.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.488 HD11 HD12 ' A' ' 106' ' ' LEU . 29.5 mm -64.75 -48.98 82.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.25 -39.72 89.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.05 79.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.4 ' HB1' ' OD1' ' A' ' 93' ' ' ASN . . . -61.52 -37.09 82.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.8 m -67.41 -37.9 83.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.414 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -74.99 -39.07 61.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.17 105.94 48.08 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.15 3.56 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -153.48 22.49 0.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.73 142.22 65.45 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.602 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -22.04 15.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.802 . . . . 0.0 111.045 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.61 -9.28 58.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.4 ' OD1' ' HB1' ' A' ' 84' ' ' ALA . 97.5 m-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.9 t -72.84 155.56 39.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.404 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -137.2 149.64 47.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 77' ' ' LEU . 2.0 tp -63.66 -40.78 97.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -44.8 95.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -46.66 86.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.639 HD13 ' CD2' ' A' ' 77' ' ' LEU . 28.5 mt -65.2 -22.26 66.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -76.62 -42.0 43.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 103.33 23.59 8.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.843 ' HA ' HG22 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -94.61 -3.75 49.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.787 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.732 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -63.28 141.08 58.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.76 130.64 33.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.71 -17.53 59.12 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.758 ' SD ' HD13 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -102.35 -32.09 10.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 110.985 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.843 HG22 ' HA ' ' A' ' 109' ' ' LEU . 2.6 t -68.98 122.57 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 86.34 2.34 85.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.112 . . . . 0.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 1.3 m-20 -141.57 101.95 6.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.77 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -58.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 0.0 110.964 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -53.69 50.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.1 -34.28 78.68 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.546 1.154 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.542 ' CG ' HD11 ' A' ' 124' ' ' LEU . 31.1 tt0 -66.12 -44.47 84.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 110.349 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.62 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -66.32 -37.74 86.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.35 -23.8 62.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.088 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.758 HD13 ' SD ' ' A' ' 113' ' ' MET . 0.4 OUTLIER -80.65 -37.97 29.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.542 HD11 ' CG ' ' A' ' 120' ' ' GLN . 0.5 OUTLIER -85.68 116.12 23.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.99 157.92 0.27 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 109.03 2.85 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.502 1.79 . . . . 0.0 111.042 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 152.84 -44.53 0.61 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -33.05 70.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.4 mt -60.65 -44.08 96.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.4 t -59.85 -39.95 81.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.76 -42.39 79.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.462 ' CG1' HD22 ' A' ' 106' ' ' LEU . 50.2 mt -67.57 -39.31 82.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.518 HG22 ' HB3' ' A' ' 44' ' ' MET . 26.1 m -63.41 -47.48 81.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.25 -47.94 69.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 46.3 p -56.88 -33.75 67.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.53 -41.32 72.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.576 HD23 ' SD ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -62.96 -36.79 84.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -68.16 -40.3 82.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.263 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.18 -29.37 69.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.583 ' CE2' HD22 ' A' ' 61' ' ' LEU . 27.6 t80 -65.21 -50.26 66.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.74 -29.63 68.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -65.86 -39.93 91.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.518 HG22 ' HB3' ' A' ' 68' ' ' LEU . 25.2 t -74.97 -42.05 45.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.493 ' O ' ' CZ ' ' A' ' 32' ' ' ARG . . . -55.21 -36.18 65.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' PRO . . . . . 0.575 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.007 -0.42 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' TRP . . . . . 0.676 ' CH2' HD11 ' A' ' 180' ' ' LEU . 31.0 p90 -101.24 -20.63 15.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 108.026 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.84 -32.02 73.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.1 -21.42 46.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.531 HG22 ' CE1' ' A' ' 167' ' ' PHE . 7.0 mt -83.54 120.42 34.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.609 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 3.0 m -131.8 133.8 45.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . 0.582 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 22.2 tp60 -73.6 128.41 35.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.158 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -118.76 166.2 12.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -25.42 12.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.443 1.759 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.43 -27.77 59.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.42 135.13 45.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.41 ' HB2' ' CB ' ' A' ' 166' ' ' ASP . 65.3 m -57.82 151.38 17.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.788 ' CE2' HG23 ' A' ' 219' ' ' ILE . 1.1 t80 -69.74 -43.1 72.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.955 HG21 HD11 ' A' ' 223' ' ' LEU . 1.0 OUTLIER -70.79 -46.55 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.41 ' CB ' ' HB2' ' A' ' 163' ' ' SER . 13.5 t70 -56.26 -48.08 77.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.609 ' CE1' ' C ' ' A' ' 157' ' ' THR . 59.7 t80 -66.47 -42.51 87.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -56.23 -37.38 69.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -63.65 -44.05 94.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -62.52 -37.42 86.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.58 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.5 OUTLIER -70.82 -49.93 41.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.519 HG12 HD13 ' A' ' 189' ' ' ILE . 23.3 mt -57.77 -43.93 84.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -61.87 -36.2 80.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.48 -52.51 31.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 0.605 HG21 HG13 ' A' ' 189' ' ' ILE . 40.0 t -57.15 -44.99 84.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.446 ' OE2' HG22 ' A' ' 172' ' ' ILE . 1.7 mt-10 -53.38 -39.45 64.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -103.77 35.19 5.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 5.0 p -118.97 166.41 12.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 0.809 . . . . 0.0 109.992 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -89.04 76.4 7.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.676 HD11 ' CH2' ' A' ' 153' ' ' TRP . 29.9 mt -123.82 155.32 66.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.74 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.3 Cg_endo -75.04 167.1 27.75 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 64.0 6.07 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.468 1.773 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 4.2 t -179.73 -37.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.459 1.099 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.74 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -72.19 -11.74 60.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . 0.507 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 21.0 mtm105 -84.49 67.55 9.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.901 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 175.45 -57.54 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 187' ' ' PRO . . . . . 0.901 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.4 Cg_endo -74.91 -26.61 10.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 44.8 t -68.42 -41.38 83.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 189' ' ' ILE . . . . . 0.605 HG13 HG21 ' A' ' 175' ' ' VAL . 24.4 mt -66.67 -48.87 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 190' ' ' ILE . . . . . 0.733 HD11 ' C ' ' A' ' 214' ' ' THR . 65.3 mt -68.26 -37.81 78.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 191' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 187' ' ' PRO . 6.7 t70 -62.11 -36.21 81.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 192' ' ' CYS . . . . . 0.411 ' HA ' ' HB2' ' A' ' 195' ' ' GLN . 14.6 m -60.41 -46.52 89.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 193' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -56.71 -50.59 71.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 194' ' ' ARG . . . . . 0.538 ' HB3' HG21 ' A' ' 205' ' ' ILE . 3.8 ptp180 -78.32 2.67 17.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . 0.411 ' HB2' ' HA ' ' A' ' 192' ' ' CYS . 0.0 OUTLIER -81.08 -56.06 4.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.248 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 196' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 197' ' ' SER . 41.6 tttm -126.79 -84.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 197' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 196' ' ' LYS . 3.8 m 34.44 -150.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.996 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 198' ' ' GLN . . . . . 0.511 ' CD ' ' N ' ' A' ' 198' ' ' GLN . 0.0 OUTLIER -107.57 170.33 5.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -33.91 4.23 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.536 1.808 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -63.97 -50.1 69.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 18.5 mm -70.27 -44.18 77.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -56.14 -46.45 79.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -61.05 -31.24 70.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . 0.699 HD13 HG13 ' A' ' 222' ' ' VAL . 0.6 OUTLIER -68.49 -49.68 57.92 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.598 ' O ' ' HB3' ' A' ' 208' ' ' ALA . 0.5 OUTLIER -63.3 -48.16 88.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -60.46 -36.29 77.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -86.92 5.02 39.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.244 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 208' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -70.36 161.54 75.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 209' ' ' PRO . . . . . 0.501 ' HB2' HG22 ' A' ' 211' ' ' THR . 18.4 Cg_endo -74.99 154.96 42.92 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.83 24.3 4.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . 0.501 HG22 ' HB2' ' A' ' 209' ' ' PRO . 15.1 t -107.44 -6.28 17.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.373 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 212' ' ' LEU . . . . . 0.622 ' O ' HG23 ' A' ' 213' ' ' THR . 0.5 OUTLIER -144.61 142.59 30.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.1 p -158.03 47.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 214' ' ' THR . . . . . 0.733 ' C ' HD11 ' A' ' 190' ' ' ILE . 72.3 p -121.7 158.39 54.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.382 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 55.17 3.86 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.483 1.78 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -160.78 -53.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.3 -35.49 63.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 218' ' ' ILE . . . . . 0.721 HG12 HD13 ' A' ' 190' ' ' ILE . 1.2 mp -61.8 -43.11 96.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 219' ' ' ILE . . . . . 0.788 HG23 ' CE2' ' A' ' 164' ' ' PHE . 5.0 mt -75.15 -44.42 43.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -55.88 -42.71 76.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.521 ' CE2' HD22 ' A' ' 204' ' ' LEU . 1.0 OUTLIER -67.66 -45.42 75.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.699 HG13 HD13 ' A' ' 204' ' ' LEU . 5.6 t -60.11 -44.61 95.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.955 HD11 HG21 ' A' ' 165' ' ' VAL . 85.0 mt -65.47 -37.94 88.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -65.18 -33.07 75.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.323 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 225' ' ' ARG . . . . . 0.446 ' CB ' HD21 ' A' ' 204' ' ' LEU . 0.7 OUTLIER -79.44 -43.81 22.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.285 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 110.309 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.517 ' HG2' HD12 ' A' ' 18' ' ' LEU . 3.7 tp10 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.03 -32.67 5.15 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.458 1.767 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -65.28 -47.09 77.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.517 HD12 ' HG2' ' A' ' 15' ' ' GLU . 96.7 mt -69.14 -39.25 78.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.545 HG23 ' CD1' ' A' ' 56' ' ' LEU . 64.6 mt -70.54 -36.58 66.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 16' ' ' PRO . 5.4 m -64.08 -50.29 68.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.362 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 22' ' ' LEU . 5.1 ptp180 -61.64 -40.65 95.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.648 HD13 HD23 ' A' ' 43' ' ' LEU . 1.2 mt -66.43 -45.79 78.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.28 -32.27 73.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.456 ' O ' HG23 ' A' ' 28' ' ' THR . 0.3 OUTLIER -62.18 -47.63 83.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.578 HG22 ' OE1' ' A' ' 39' ' ' GLU . 1.2 m -61.24 -37.76 84.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.416 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.742 HG22 ' HA ' ' A' ' 36' ' ' THR . 2.3 t -63.34 -41.29 92.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -67.29 -47.98 69.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 24' ' ' ASP . 65.4 p -70.22 -30.77 67.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.372 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 25' ' ' THR . 16.0 mmtt -81.05 -13.96 58.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.08 128.65 0.36 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.729 HD13 ' CE1' ' A' ' 140' ' ' PHE . 0.9 OUTLIER -67.25 -20.06 65.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -89.2 2.4 54.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -105.27 153.55 39.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.947 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.424 ' O ' ' CB ' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -74.99 97.89 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 111.036 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.484 HG23 ' OE2' ' A' ' 39' ' ' GLU . 0.1 OUTLIER 168.43 -31.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.742 ' HA ' HG22 ' A' ' 26' ' ' VAL . 2.8 m -58.53 -47.79 83.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.424 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 32.0 mmt -64.36 -41.43 96.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.29 -50.5 65.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.581 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 46.5 mt-10 -59.87 -47.46 85.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.538 HG12 HD21 ' A' ' 137' ' ' LEU . 37.7 t -60.75 -49.04 86.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.564 ' HG3' HD22 ' A' ' 137' ' ' LEU . 7.6 mt-10 -63.37 -24.2 67.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.581 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -61.89 -55.86 25.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.656 HD11 HD21 ' A' ' 56' ' ' LEU . 1.2 pp -73.08 -44.64 60.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.511 ' CE ' ' CE ' ' A' ' 57' ' ' MET . 14.8 mtt -69.83 -9.93 56.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' GLU . 46.9 t -35.34 -35.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' MET . 6.7 p -101.38 158.9 30.9 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 149.87 37.54 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 0.0 111.025 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.688 HD13 HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -149.56 -177.04 5.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.75 ' O ' HG23 ' A' ' 53' ' ' VAL . 9.0 mt -86.5 162.49 45.17 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.633 ' O ' HG23 ' A' ' 54' ' ' THR . 18.2 Cg_endo -75.02 -26.25 11.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.804 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -67.93 -51.12 51.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.562 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -62.87 -32.22 73.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 49' ' ' LEU . 9.5 t -54.49 -44.52 68.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 50' ' ' PRO . 18.9 p -65.64 -36.98 85.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.384 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -67.38 -43.54 81.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.656 HD21 HD11 ' A' ' 43' ' ' LEU . 14.4 tp -66.68 -54.39 23.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.55 ' HG2' ' CE2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -57.82 -39.92 78.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 61' ' ' LEU . 8.2 ttt85 -56.7 -36.86 70.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.3 t -74.63 -35.43 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.466 ' HB ' HD23 ' A' ' 61' ' ' LEU . 3.6 mt -72.79 -43.64 60.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -121.94 130.36 53.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.575 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -50.01 -178.2 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.467 ' HA ' ' HB3' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.06 -18.75 18.34 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.919 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.1 -56.76 5.29 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.919 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.0 -24.05 13.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.455 1.766 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.543 ' HA ' HD12 ' A' ' 61' ' ' LEU . 2.9 t80 -55.55 -40.85 72.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.49 -36.83 85.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.562 ' HB3' HG22 ' A' ' 143' ' ' VAL . 7.4 mp -66.54 -42.51 87.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.55 ' CE2' ' HG2' ' A' ' 57' ' ' MET . 28.3 t90 -68.74 -34.51 75.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 107.986 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.417 ' HE2' ' CZ3' ' A' ' 69' ' ' TRP . 0.9 OUTLIER -65.98 -36.21 82.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -71.56 -47.48 54.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.86 -45.82 80.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 19.9 t90 -50.66 -42.02 56.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 108.017 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.403 ' O ' ' OE1' ' A' ' 78' ' ' GLN . . . -58.76 -44.09 96.06 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.2 t -67.91 -46.27 82.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.431 ' NE2' ' HA ' ' A' ' 76' ' ' GLN . 18.1 mm100 -54.43 -46.18 73.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.636 ' CD2' HD13 ' A' ' 106' ' ' LEU . 3.1 mt -56.79 -42.12 78.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 74' ' ' GLY . 0.6 OUTLIER -67.79 -30.21 69.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 110.274 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.84 -35.19 78.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.402 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.5 t -69.32 -35.35 67.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.635 HG13 HG23 ' A' ' 101' ' ' THR . 1.5 mp -75.49 -50.1 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.9 -47.43 85.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.77 -43.19 80.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.14 -49.01 78.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.175 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.43 -29.35 69.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -75.14 -41.58 58.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.252 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -129.35 115.66 18.52 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 54.94 3.77 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.553 1.817 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.44 14.35 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.442 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -83.84 134.37 44.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.599 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -22.08 15.22 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.53 -22.12 66.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 90' ' ' HIS . 14.5 p30 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.635 HG23 HG13 ' A' ' 81' ' ' ILE . 2.6 t -74.49 170.2 16.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 110.369 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -153.88 146.67 24.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.367 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.503 HD12 HD13 ' A' ' 81' ' ' ILE . 1.2 tp -56.0 -30.88 62.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -66.23 -44.93 82.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -59.48 -47.33 85.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.636 HD13 ' CD2' ' A' ' 77' ' ' LEU . 48.0 mt -71.66 -15.76 62.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.85 -57.04 6.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.458 ' HA2' ' CE ' ' A' ' 113' ' ' MET . . . 113.74 22.26 5.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -104.92 5.34 32.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 0.772 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.821 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.39 171.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.06 124.18 24.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.249 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 83.45 9.6 83.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.821 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 45.9 mtp -103.32 -22.7 13.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.63 134.54 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.77 3.18 66.41 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.13 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.77 99.4 2.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.412 ' O ' ' HG2' ' A' ' 120' ' ' GLN . 18.4 Cg_endo -75.0 -37.53 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -77.48 -32.23 54.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -76.38 -42.62 22.41 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.453 1.096 . . . . 0.0 111.037 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.439 ' HG3' ' N ' ' A' ' 121' ' ' ALA . 21.6 pt20 -61.24 -44.54 97.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.439 ' N ' ' HG3' ' A' ' 120' ' ' GLN . . . -61.52 -42.61 99.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.78 -19.04 61.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.51 HD23 ' HG ' ' A' ' 124' ' ' LEU . 0.2 OUTLIER -79.49 -30.99 42.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.351 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.804 HD11 ' CE ' ' A' ' 113' ' ' MET . 1.0 OUTLIER -88.53 103.56 16.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.409 ' HD2' ' N ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -39.19 159.09 0.11 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.327 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 108.5 2.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.544 1.813 . . . . 0.0 110.992 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 154.69 -41.59 0.61 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 0.2 OUTLIER -66.25 -39.54 89.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 110.255 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.1 mt -59.13 -42.39 90.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.9 t -59.26 -39.87 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -56.71 -41.02 76.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.461 HG21 ' HB3' ' A' ' 50' ' ' PRO . 42.0 mt -69.01 -38.81 78.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.486 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 21.5 m -63.9 -48.68 75.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.34 -43.74 93.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 82.5 p -63.69 -34.1 77.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.984 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.7 -39.8 80.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.564 HD22 ' HG3' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -70.08 -34.02 72.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -71.84 -39.82 69.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.84 -33.06 74.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.729 ' CE1' HD13 ' A' ' 31' ' ' LEU . 2.6 t80 -65.45 -57.36 8.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -24.7 50.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -68.13 -41.87 81.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.562 HG22 ' HB3' ' A' ' 68' ' ' LEU . 5.4 t -68.92 -40.59 81.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -64.5 -49.57 70.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' PRO . . . . . 0.515 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.853 0 N-CA-C 110.975 -0.433 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' TRP . . . . . 0.845 ' CH2' HD11 ' A' ' 180' ' ' LEU . 32.6 p90 -51.63 -26.5 9.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 107.968 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.86 76.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 152' ' ' PRO . 62.0 m-20 -87.31 -22.09 25.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.887 HG22 ' CE1' ' A' ' 167' ' ' PHE . 26.4 mt -85.56 120.87 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.517 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 18.6 p -128.9 145.39 51.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.397 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . 0.471 ' HA ' ' NE2' ' A' ' 158' ' ' GLN . 1.9 tp-100 -76.97 104.6 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . 0.42 ' O ' ' OE1' ' A' ' 158' ' ' GLN . . . -106.35 163.84 13.61 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -17.84 19.18 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.64 -24.5 58.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -120.33 135.47 55.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 27.4 m -57.56 156.52 8.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.954 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.79 ' CE2' HG23 ' A' ' 219' ' ' ILE . 1.4 t80 -65.02 -52.14 57.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.924 HG23 HG21 ' A' ' 219' ' ' ILE . 0.8 OUTLIER -62.85 -45.48 98.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.437 ' N ' ' CG1' ' A' ' 165' ' ' VAL . 1.1 m-20 -56.31 -47.84 77.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.887 ' CE1' HG22 ' A' ' 156' ' ' ILE . 9.5 t80 -67.17 -33.73 76.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.416 ' O ' HD12 ' A' ' 172' ' ' ILE . . . -64.71 -33.35 75.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -67.23 -49.69 63.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.404 ' HD2' ' N ' ' A' ' 170' ' ' ARG . 4.2 mpt_? -61.88 -37.74 85.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.882 HD12 ' CZ ' ' A' ' 167' ' ' PHE . 3.5 tt -69.46 -49.36 55.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.514 HG12 HD13 ' A' ' 189' ' ' ILE . 36.7 mt -57.81 -45.67 87.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -60.74 -35.58 76.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.83 -51.98 34.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 0.497 HG23 HD23 ' A' ' 171' ' ' LEU . 46.8 t -57.15 -46.71 84.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -52.17 -40.71 61.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -100.22 27.77 18.81 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.559 1.162 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 26.2 p -111.73 166.08 11.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 110.014 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.7 84.52 5.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.845 HD11 ' CH2' ' A' ' 153' ' ' TRP . 27.9 mt -129.18 156.94 77.48 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.55 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.3 Cg_endo -75.02 162.02 37.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' PRO . . . . . 0.426 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.3 Cg_endo -74.97 78.69 2.83 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.486 1.782 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.5 OUTLIER 163.9 -30.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.55 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -81.12 -11.64 59.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 83.6 mtm180 -83.6 69.94 10.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.916 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 175.08 -57.76 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 187' ' ' PRO . . . . . 0.916 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -74.98 -28.39 9.25 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.518 1.799 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 24.1 t -67.47 -38.81 81.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 189' ' ' ILE . . . . . 0.514 HD13 HG12 ' A' ' 172' ' ' ILE . 53.9 mt -66.72 -48.32 80.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 190' ' ' ILE . . . . . 0.668 HD11 ' C ' ' A' ' 214' ' ' THR . 49.1 mt -69.26 -36.15 71.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -64.11 -37.53 87.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 63.5 m -60.51 -46.26 90.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 108.293 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 193' ' ' PHE . . . . . 0.408 ' O ' ' OG ' ' A' ' 197' ' ' SER . 12.6 m-30 -53.81 -38.3 64.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -98.32 9.75 42.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -87.62 -45.05 10.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.91 71.04 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 197' ' ' SER . . . . . 0.463 ' HB3' ' CG ' ' A' ' 158' ' ' GLN . 1.6 m -138.41 167.16 22.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 198' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 197' ' ' SER . 2.1 mp0 -38.34 154.46 0.13 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -37.23 2.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.46 1.768 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -44.36 88.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 18.3 mm -72.94 -37.38 53.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -70.34 -43.84 69.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.33 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . 0.517 ' NE2' ' HB2' ' A' ' 207' ' ' ALA . 33.0 tp60 -62.04 -32.01 72.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . 0.53 HD11 ' HG2' ' A' ' 225' ' ' ARG . 0.3 OUTLIER -68.14 -48.98 63.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.496 ' O ' ' HB3' ' A' ' 208' ' ' ALA . 0.4 OUTLIER -64.16 -39.86 87.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -63.15 -33.84 76.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 207' ' ' ALA . . . . . 0.517 ' HB2' ' NE2' ' A' ' 203' ' ' GLN . . . -89.23 2.43 54.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 208' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -61.98 155.08 65.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 209' ' ' PRO . . . . . 0.436 ' HD2' HD11 ' A' ' 212' ' ' LEU . 18.5 Cg_endo -74.97 154.65 42.79 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.499 1.789 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.91 14.18 9.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.982 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 9.0 m -96.82 -11.64 24.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.473 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 212' ' ' LEU . . . . . 0.698 ' O ' HG23 ' A' ' 213' ' ' THR . 0.4 OUTLIER -142.05 142.31 32.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 212' ' ' LEU . 2.0 p -159.87 43.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.396 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 214' ' ' THR . . . . . 0.668 ' C ' HD11 ' A' ' 190' ' ' ILE . 34.1 p -116.52 157.92 44.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 215' ' ' PRO . . . . . 0.417 ' HB3' HG21 ' A' ' 189' ' ' ILE . 18.5 Cg_endo -74.94 55.39 3.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.436 1.756 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -159.67 -55.03 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.51 1.131 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 217' ' ' GLU . . . . . 0.404 ' CD ' ' OG1' ' A' ' 214' ' ' THR . 1.0 OUTLIER -74.27 -34.02 63.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 0.771 . . . . 0.0 110.307 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 218' ' ' ILE . . . . . 0.53 HG12 HD13 ' A' ' 190' ' ' ILE . 1.3 mp -62.09 -42.46 95.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 219' ' ' ILE . . . . . 0.924 HG21 HG23 ' A' ' 165' ' ' VAL . 3.4 mt -73.5 -47.33 45.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -55.77 -39.67 71.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.474 ' CZ ' HD23 ' A' ' 204' ' ' LEU . 0.9 OUTLIER -67.4 -46.14 74.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 111.011 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.441 HG22 ' HB3' ' A' ' 204' ' ' LEU . 6.1 t -60.59 -47.56 92.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.524 HD23 HE21 ' A' ' 226' ' ' GLN . 43.3 mt -65.39 -36.59 84.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.43 -37.46 87.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 225' ' ' ARG . . . . . 0.53 ' HG2' HD11 ' A' ' 204' ' ' LEU . 0.1 OUTLIER -78.48 -32.22 48.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.308 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . 0.524 HE21 HD23 ' A' ' 223' ' ' LEU . 11.2 mt-30 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.253 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.401 ' O ' ' N ' ' A' ' 20' ' ' THR . 18.3 Cg_endo -74.93 -26.24 11.25 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -65.03 -50.92 64.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.488 HD23 ' HE ' ' A' ' 21' ' ' ARG . 30.0 mt -60.36 -42.5 95.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.456 HG23 ' CD1' ' A' ' 56' ' ' LEU . 26.8 mt -69.33 -36.47 72.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 16' ' ' PRO . 1.7 m -61.97 -50.42 72.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.432 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.488 ' HE ' HD23 ' A' ' 18' ' ' LEU . 2.9 ptp180 -62.3 -38.55 89.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.247 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.561 HD13 ' HB3' ' A' ' 43' ' ' LEU . 6.0 mt -67.03 -38.41 85.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.414 ' CB ' HG12 ' A' ' 59' ' ' VAL . . . -68.69 -32.96 73.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.869 ' O ' HG23 ' A' ' 28' ' ' THR . 2.2 m-20 -62.2 -47.31 85.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.492 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.9 m -59.21 -37.95 78.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.425 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.87 HG13 HG23 ' A' ' 36' ' ' THR . 43.4 t -62.27 -45.73 98.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.449 ' HA ' ' CD2' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -66.48 -48.43 69.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.33 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.869 HG23 ' O ' ' A' ' 24' ' ' ASP . 50.8 p -66.35 -31.04 71.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.628 ' CG ' HG21 ' A' ' 35' ' ' ILE . 18.9 mmtm -83.35 -14.39 52.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.72 128.32 6.13 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.491 HD13 ' HZ ' ' A' ' 140' ' ' PHE . 2.4 mm? -67.29 -30.16 69.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.99 2.2 54.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.65 161.2 48.67 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.0 110.003 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -33.55 4.55 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.628 HG21 ' CG ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -52.12 -25.37 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.87 HG23 HG13 ' A' ' 26' ' ' VAL . 19.9 m -62.84 -49.17 75.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -38.45 91.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.34 -50.16 64.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.521 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -61.62 -47.3 86.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 36' ' ' THR . 76.4 t -59.91 -43.98 93.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.462 ' HG3' ' CD2' ' A' ' 137' ' ' LEU . 20.0 mt-10 -68.73 -24.64 64.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -61.49 -54.98 36.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.642 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -72.21 -48.42 43.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.562 ' HB3' HG22 ' A' ' 133' ' ' THR . 23.2 mtt -67.0 -10.6 51.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 41' ' ' GLU . 16.0 t -37.72 -31.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.996 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' MET . 3.5 p -109.78 161.54 23.82 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.02 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 149.19 36.46 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.737 HD13 HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -146.51 -172.35 3.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.804 HD21 ' HB2' ' A' ' 121' ' ' ALA . 0.3 OUTLIER -86.35 163.97 40.07 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.526 ' O ' HG23 ' A' ' 54' ' ' THR . 18.2 Cg_endo -75.06 -35.79 2.89 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.53 1.805 . . . . 0.0 110.976 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.74 -45.71 74.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.606 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.45 -33.98 76.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 49' ' ' LEU . 4.3 t -54.87 -47.06 75.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 50' ' ' PRO . 33.0 p -66.75 -33.19 75.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.399 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -66.33 -44.66 82.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.642 HD21 ' CD1' ' A' ' 43' ' ' LEU . 2.4 tp -67.58 -51.66 47.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 1.03 ' O ' HD12 ' A' ' 61' ' ' LEU . 11.3 mmt -57.93 -33.53 68.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.572 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 4.6 ttt180 -63.55 -37.33 86.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.348 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.414 HG12 ' CB ' ' A' ' 23' ' ' ALA . 46.7 t -68.12 -44.64 84.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.458 HG21 ' HE2' ' A' ' 140' ' ' PHE . 83.6 mt -71.03 -43.23 76.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.03 HD12 ' O ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -118.02 121.83 41.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.478 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -53.54 -168.44 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.45 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.99 -19.28 18.02 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.534 1.807 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.936 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.69 -59.05 3.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.936 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.91 4.48 4.65 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.488 1.783 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 58' ' ' ARG . 0.8 OUTLIER -77.2 -50.05 13.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.967 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.98 -30.68 68.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.914 ' HB3' HG22 ' A' ' 143' ' ' VAL . 8.3 mp -71.86 -42.15 67.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.516 ' CZ3' ' CE3' ' A' ' 73' ' ' TRP . 62.5 t90 -70.89 -40.6 72.12 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.5 mmt -62.95 -38.72 92.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -70.95 -42.09 70.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.56 -30.08 64.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.516 ' CE3' ' CZ3' ' A' ' 69' ' ' TRP . 17.0 t90 -72.05 -40.59 68.24 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.71 -45.61 93.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 25.0 t -68.16 -45.29 83.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -55.65 -45.55 77.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.784 ' HB3' HD11 ' A' ' 103' ' ' LEU . 3.4 mt -58.71 -50.38 74.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -59.11 -29.98 67.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.465 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -63.47 -35.21 79.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.389 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.534 HG11 HD11 ' A' ' 106' ' ' LEU . 2.6 t -70.73 -38.26 72.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.532 HG13 HG23 ' A' ' 101' ' ' THR . 1.4 mp -70.0 -50.42 48.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.27 94.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 79' ' ' THR . . . -57.95 -45.58 86.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.88 -35.12 79.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.5 m -68.32 -34.63 76.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.382 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -74.67 -43.21 56.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 110.291 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.12 120.86 13.06 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.86 3.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -128.52 3.87 5.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 0.2 OUTLIER -73.28 139.72 79.05 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.558 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -74.99 -24.36 12.93 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.24 -6.54 55.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 100' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.412 ' N ' ' OD1' ' A' ' 93' ' ' ASN . 50.4 mtt180 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.532 HG23 HG13 ' A' ' 81' ' ' ILE . 4.5 t -97.18 170.53 9.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.571 HD22 ' N ' ' A' ' 102' ' ' ASN . 0.5 OUTLIER -140.44 165.77 26.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.784 HD11 ' HB3' ' A' ' 77' ' ' LEU . 2.1 tp -63.87 -30.09 71.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -63.29 -45.44 91.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.236 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.25 -45.08 92.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.78 HD13 ' CD2' ' A' ' 77' ' ' LEU . 10.0 mt -74.04 -15.8 61.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.74 -51.94 17.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 107.49 18.74 9.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.13 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.683 HD12 HG13 ' A' ' 114' ' ' VAL . 12.0 tp -98.12 4.85 49.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.785 ' HB3' ' CE ' ' A' ' 113' ' ' MET . . . -58.85 141.68 52.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.3 130.56 10.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 91.33 -15.48 61.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.785 ' CE ' ' HB3' ' A' ' 110' ' ' ALA . 12.0 mtm -102.87 -17.64 15.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.683 HG13 HD12 ' A' ' 109' ' ' LEU . 2.4 t -76.74 122.73 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 87.63 3.16 81.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -138.59 102.21 7.93 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -61.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -54.41 -50.68 67.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.16 -37.77 92.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.455 ' HG2' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -63.07 -44.41 95.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.278 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.804 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -66.47 -34.26 77.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.26 -22.61 57.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.711 ' O ' HD23 ' A' ' 123' ' ' LEU . 2.2 tt -79.07 -37.19 39.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.671 HD21 ' CE ' ' A' ' 113' ' ' MET . 0.7 OUTLIER -83.72 111.21 18.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.5 158.33 0.13 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 109.05 2.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 156.83 -40.11 0.56 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -32.94 74.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.753 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.601 ' HA ' HD12 ' A' ' 132' ' ' ILE . 4.9 mt -59.6 -43.56 93.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.0 t -62.98 -39.76 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.237 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.5 -38.83 72.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.601 HD12 ' HA ' ' A' ' 129' ' ' LEU . 17.3 mt -68.74 -38.75 79.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.562 HG22 ' HB3' ' A' ' 44' ' ' MET . 1.3 m -66.07 -48.9 69.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.379 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.04 96.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.4 m -67.8 -35.12 78.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.994 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.17 95.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.495 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -67.03 -39.66 87.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -34.44 77.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.254 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -70.95 -32.15 68.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.538 ' CZ ' ' CG2' ' A' ' 36' ' ' THR . 2.7 t80 -61.52 -64.23 1.01 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -53.97 -27.55 31.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 110.35 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -67.55 -30.81 70.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.914 HG22 ' HB3' ' A' ' 68' ' ' LEU . 20.2 t -84.94 -42.33 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.25 -41.5 88.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.285 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' PRO . . . . . 0.584 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' TRP . . . . . 0.648 ' HA ' HD12 ' A' ' 156' ' ' ILE . 40.4 p90 -56.09 -21.41 22.0 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.05 -32.74 74.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -85.68 -21.99 28.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 153' ' ' TRP . 21.6 mt -76.27 120.59 26.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.598 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 43.9 m -127.63 135.3 50.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.429 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . 0.565 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 6.1 tm0? -75.87 129.87 37.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -107.01 157.91 15.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.79 18.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.1 -15.87 37.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.004 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -105.42 135.44 46.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.45 149.44 20.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.571 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.3 OUTLIER -63.35 -52.37 62.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 1.039 HG23 HG21 ' A' ' 219' ' ' ILE . 1.8 p -63.56 -37.26 79.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -58.26 -47.96 81.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.645 ' CE2' HD12 ' A' ' 171' ' ' LEU . 90.5 t80 -67.31 -31.45 71.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 111.046 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.546 ' O ' HD12 ' A' ' 172' ' ' ILE . . . -63.44 -39.03 93.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -64.79 -46.67 81.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -59.78 -37.16 78.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.229 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.645 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.3 OUTLIER -72.06 -49.48 36.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.225 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.559 HG22 ' OE1' ' A' ' 176' ' ' GLU . 10.7 mt -57.83 -35.43 51.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -38.49 82.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.69 -51.69 39.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 0.926 HG13 HD12 ' A' ' 180' ' ' LEU . 58.1 t -59.49 -48.14 88.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.559 ' OE1' HG22 ' A' ' 172' ' ' ILE . 32.3 mt-10 -51.94 -38.7 57.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.277 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -102.38 34.74 5.47 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 59.3 p -124.36 166.5 15.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.971 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.44 85.98 6.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.926 HD12 HG13 ' A' ' 175' ' ' VAL . 21.1 mt -125.52 154.19 72.62 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.675 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.2 Cg_endo -75.03 163.47 35.22 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 65.65 6.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 37.4 t 179.49 -38.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.675 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -79.59 -10.44 59.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . 0.558 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 38.0 mtm180 -84.39 68.11 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.9 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 172.67 -56.45 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 187' ' ' PRO . . . . . 0.9 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -75.03 -27.73 9.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 41.4 t -66.28 -35.96 76.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 189' ' ' ILE . . . . . 0.634 HD12 ' HG3' ' A' ' 215' ' ' PRO . 54.5 mt -68.71 -48.42 71.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 190' ' ' ILE . . . . . 0.913 HD11 ' C ' ' A' ' 214' ' ' THR . 45.2 mt -64.4 -36.23 76.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -62.56 -37.71 87.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 192' ' ' CYS . . . . . 0.52 ' HB3' HD11 ' A' ' 171' ' ' LEU . 9.6 m -59.58 -47.34 85.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 108.278 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 193' ' ' PHE . . . . . 0.562 ' HB3' HD13 ' A' ' 205' ' ' ILE . 11.7 m-30 -53.74 -36.29 62.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 194' ' ' ARG . . . . . 0.416 ' O ' ' NE2' ' A' ' 202' ' ' GLN . 9.1 ptp180 -101.37 12.08 38.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -92.84 -36.15 13.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.94 73.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 197' ' ' SER . . . . . . . . . . . . . 3.3 m -139.4 169.38 17.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 198' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 202' ' ' GLN . 2.3 mp0 -39.59 159.21 0.12 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -39.03 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.782 . . . . 0.0 111.038 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -50.27 68.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 17.6 mm -68.16 -37.05 77.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 202' ' ' GLN . . . . . 0.485 ' CB ' ' O ' ' A' ' 198' ' ' GLN . 2.1 tp60 -68.92 -45.09 71.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . 0.536 ' NE2' ' HB2' ' A' ' 207' ' ' ALA . 31.7 tp60 -64.33 -38.63 91.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . 0.623 HD21 ' CG ' ' A' ' 225' ' ' ARG . 0.5 OUTLIER -61.81 -49.3 76.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.562 HD13 ' HB3' ' A' ' 193' ' ' PHE . 1.6 mt -64.83 -39.23 84.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -33.82 76.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 207' ' ' ALA . . . . . 0.536 ' HB2' ' NE2' ' A' ' 203' ' ' GLN . . . -88.81 0.32 56.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 208' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -61.42 156.41 52.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 209' ' ' PRO . . . . . 0.461 ' HD2' HD11 ' A' ' 212' ' ' LEU . 18.5 Cg_endo -74.98 153.3 41.79 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.781 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.3 18.91 4.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.021 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 5.4 m -99.94 -4.06 30.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 212' ' ' LEU . . . . . 0.734 ' O ' HG23 ' A' ' 213' ' ' THR . 0.2 OUTLIER -144.11 148.71 35.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . 0.734 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.3 p -160.75 45.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 214' ' ' THR . . . . . 0.913 ' C ' HD11 ' A' ' 190' ' ' ILE . 1.4 m -122.46 149.86 56.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.356 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 215' ' ' PRO . . . . . 0.869 ' HD2' HG23 ' A' ' 214' ' ' THR . 18.3 Cg_endo -75.01 49.45 2.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.542 1.811 . . . . 0.0 110.982 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -146.86 -59.37 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -75.24 -34.29 61.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 0.793 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 218' ' ' ILE . . . . . 0.635 HD12 HD13 ' A' ' 212' ' ' LEU . 1.3 mp -57.62 -48.8 82.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 219' ' ' ILE . . . . . 1.039 HG21 HG23 ' A' ' 165' ' ' VAL . 4.7 mt -67.05 -41.9 87.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -58.82 -38.08 77.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.407 ' CE2' ' HA ' ' A' ' 208' ' ' ALA . 2.1 t80 -69.26 -48.62 61.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.51 HG22 ' HB3' ' A' ' 204' ' ' LEU . 24.9 t -60.46 -43.97 95.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.426 HD23 HE21 ' A' ' 226' ' ' GLN . 32.5 mt -66.32 -39.57 89.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.93 -42.61 99.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 225' ' ' ARG . . . . . 0.623 ' CG ' HD21 ' A' ' 204' ' ' LEU . 0.9 OUTLIER -73.4 -28.9 62.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . 0.426 HE21 HD23 ' A' ' 223' ' ' LEU . 4.0 mt-30 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.16 11.23 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.45 1.763 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -50.54 72.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.9 mt -63.56 -47.01 83.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.596 HD13 HD13 ' A' ' 56' ' ' LEU . 13.6 mt -59.76 -37.09 69.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.4 m -60.78 -38.13 84.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.348 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -49.02 75.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.827 HD21 ' OE1' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -66.53 -40.25 89.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.478 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -64.22 -32.43 74.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.3 -44.78 95.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.493 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -62.67 -37.47 86.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.758 HG22 ' HA ' ' A' ' 36' ' ' THR . 1.4 t -58.73 -49.17 83.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -48.82 80.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.5 p -68.55 -23.74 64.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.539 ' CD ' HG21 ' A' ' 35' ' ' ILE . 6.0 mmtm -90.96 -14.07 32.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 96.08 125.39 4.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.432 1.082 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.71 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -66.73 -29.5 69.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 0.738 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.72 2.49 53.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.58 166.15 26.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' MET . 18.3 Cg_endo -75.0 -46.71 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.539 HG21 ' CD ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -41.87 -28.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.759 ' O ' HG23 ' A' ' 40' ' ' VAL . 21.5 m -67.02 -49.31 65.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.421 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -64.41 -37.56 87.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.36 -51.95 26.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.827 ' OE1' HD21 ' A' ' 22' ' ' LEU . 9.3 mm-40 -59.55 -46.75 87.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 36' ' ' THR . 55.4 t -58.26 -39.9 75.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' SER . 35.2 mt-10 -71.98 -24.36 61.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -60.86 -54.87 39.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.617 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -70.29 -50.93 34.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.484 ' SD ' HD11 ' A' ' 137' ' ' LEU . 6.6 mtt -65.67 -10.56 37.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' GLU . 22.8 t -35.22 -39.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.79 162.05 22.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.023 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 147.55 33.86 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.778 HD13 HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -145.65 -178.19 5.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' A' ' 121' ' ' ALA . 0.3 OUTLIER -85.17 162.79 47.98 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.603 ' O ' HG23 ' A' ' 54' ' ' THR . 18.3 Cg_endo -75.04 -27.29 10.07 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.4 ' O ' ' OG1' ' A' ' 54' ' ' THR . 26.9 m80 -67.42 -51.45 51.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.583 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.461 ' OD2' ' N ' ' A' ' 49' ' ' LEU . 3.3 p30 -63.69 -31.96 73.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.348 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.778 HG23 HD13 ' A' ' 48' ' ' LEU . 1.3 t -54.04 -47.05 66.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 50' ' ' PRO . 43.5 p -66.58 -40.84 89.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.376 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -60.3 -40.77 91.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.617 HD21 ' CD1' ' A' ' 43' ' ' LEU . 15.1 tp -71.85 -49.74 35.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.563 ' HG2' ' CD1' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -57.65 -30.06 65.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 111.032 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 61' ' ' LEU . 3.9 ttt180 -72.28 -36.45 68.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.361 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.426 HG11 HG22 ' A' ' 19' ' ' ILE . 3.1 t -69.81 -47.93 67.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.478 HG12 ' CB ' ' A' ' 23' ' ' ALA . 29.9 mt -75.77 -43.78 39.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.819 HD11 ' HB2' ' A' ' 65' ' ' PRO . 0.2 OUTLIER -101.76 122.67 44.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.472 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -43.37 166.32 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.429 ' O ' ' HB3' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.99 -20.86 16.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.449 1.763 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.939 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -72.88 -58.78 2.51 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.939 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.0 -0.85 10.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.52 ' CE1' ' HE3' ' A' ' 70' ' ' MET . 25.3 t80 -63.53 -40.02 95.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.39 -30.0 70.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.728 ' HB3' HG22 ' A' ' 143' ' ' VAL . 8.2 mp -66.3 -48.6 69.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.734 ' CH2' ' CE3' ' A' ' 73' ' ' TRP . 22.5 t90 -59.82 -35.47 74.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.52 ' HE3' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -63.07 -44.96 94.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -62.94 -45.34 92.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.415 ' HB1' ' OE1' ' A' ' 142' ' ' GLU . . . -68.59 -37.39 79.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.734 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 15.6 t90 -61.69 -47.52 84.94 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.451 ' O ' ' NE2' ' A' ' 78' ' ' GLN . . . -53.76 -47.36 65.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.8 t -65.68 -45.54 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.76 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.409 ' O ' ' HB ' ' A' ' 79' ' ' THR . 1.5 mp0 -54.32 -43.72 71.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.706 ' HB3' HD11 ' A' ' 103' ' ' LEU . 3.0 mt -60.1 -47.09 87.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 74' ' ' GLY . 4.3 mt-30 -60.25 -36.11 77.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 76' ' ' GLN . 0.9 OUTLIER -58.17 -35.43 71.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.399 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 t -70.56 -34.33 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.805 HG13 HD13 ' A' ' 103' ' ' LEU . 19.8 mm -67.0 -49.7 71.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.23 85.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.2 -32.65 73.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.494 ' HA ' ' CD2' ' A' ' 90' ' ' HIS . . . -76.14 -50.16 15.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.58 -28.76 68.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -73.95 -43.26 58.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -120.29 116.82 32.14 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.87 3.76 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -152.37 26.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.332 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.494 ' CD2' ' HA ' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -89.7 140.78 28.08 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.612 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -75.01 -27.6 9.85 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.466 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -75.28 -12.18 60.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.4 ' CA ' ' HB ' ' A' ' 101' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.362 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 100' ' ' ARG . 4.1 ttp-105 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.539 HG23 HD12 ' A' ' 81' ' ' ILE . 10.1 t -71.07 151.92 44.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -133.1 143.0 49.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.805 HD13 HG13 ' A' ' 81' ' ' ILE . 1.6 tp -64.2 -29.58 70.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -38.92 91.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -44.43 96.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.504 HD13 ' CD2' ' A' ' 77' ' ' LEU . 16.6 mt -73.42 -30.89 63.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.87 -29.69 65.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 96.34 30.18 7.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.626 ' HA ' HG22 ' A' ' 114' ' ' VAL . 0.3 OUTLIER -103.94 4.79 35.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.78 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.649 ' O ' HG23 ' A' ' 114' ' ' VAL . . . -59.09 162.75 4.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.01 125.34 26.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.9 -6.09 83.79 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.566 1.166 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.547 ' HG2' HD12 ' A' ' 123' ' ' LEU . 7.5 mtt -103.02 -22.8 13.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 110' ' ' ALA . 2.3 t -73.41 123.49 28.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 90.29 0.15 77.27 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 16.0 m120 -134.88 103.97 10.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -64.46 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -54.34 -46.44 72.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.01 -41.05 99.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.543 1.152 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.594 ' OE1' HD11 ' A' ' 49' ' ' LEU . 1.5 tm0? -61.96 -44.02 97.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.693 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -65.95 -37.54 86.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.67 -15.16 61.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.547 HD12 ' HG2' ' A' ' 113' ' ' MET . 0.3 OUTLIER -86.31 -32.13 21.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.529 HD11 ' NE2' ' A' ' 120' ' ' GLN . 0.6 OUTLIER -90.1 115.78 27.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.55 158.01 0.17 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 108.76 2.79 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.519 1.799 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 151.76 -35.89 0.85 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.466 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 2.0 mt-10 -63.32 -41.38 98.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 0.761 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.86 -40.2 83.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.47 -40.0 82.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.32 -38.08 76.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 11.2 mt -68.91 -40.46 81.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.42 HG23 HD11 ' A' ' 48' ' ' LEU . 1.7 m -64.8 -47.0 79.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.409 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.59 -41.59 92.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.5 m -64.98 -34.31 78.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.83 -42.68 69.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.246 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.484 HD11 ' SD ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -61.7 -38.36 87.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -71.18 -34.26 70.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.05 -33.55 74.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.71 ' CZ ' HD21 ' A' ' 31' ' ' LEU . 6.2 t80 -66.02 -60.72 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -52.81 -24.92 9.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.415 ' OE1' ' HB1' ' A' ' 72' ' ' ALA . 1.6 tt0 -69.14 -41.71 76.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.728 HG22 ' HB3' ' A' ' 68' ' ' LEU . 23.8 t -74.03 -42.99 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -58.05 -36.7 73.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' PRO . . . . . 0.557 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' TRP . . . . . 0.824 ' CH2' HD11 ' A' ' 180' ' ' LEU . 44.9 p90 -51.71 -25.7 7.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 108.0 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.42 -33.59 75.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -82.19 -19.46 39.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.841 HG22 ' CZ ' ' A' ' 167' ' ' PHE . 9.1 mt -79.81 120.99 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.599 HG23 ' HD3' ' A' ' 196' ' ' LYS . 6.6 m -125.33 123.35 39.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.381 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . 0.646 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 9.5 tp60 -67.6 129.31 39.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -123.72 166.92 16.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -19.67 17.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.793 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 44.6 m -71.96 -34.87 69.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -101.7 135.39 43.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.45 166.21 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 110.06 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.621 ' CE2' HG23 ' A' ' 219' ' ' ILE . 3.3 t80 -68.23 -50.04 56.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.835 HG22 HG21 ' A' ' 219' ' ' ILE . 25.4 t -68.18 -35.79 72.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -48.39 77.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.867 ' CE2' HD12 ' A' ' 171' ' ' LEU . 67.4 t80 -72.14 -30.89 65.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -65.28 -37.14 86.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -67.6 -46.53 72.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -63.01 -37.32 86.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.867 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.4 OUTLIER -71.23 -50.16 35.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.619 HG12 HD13 ' A' ' 189' ' ' ILE . 47.8 mt -57.55 -40.08 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -36.03 82.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.87 -47.84 64.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 0.508 HG13 HD12 ' A' ' 180' ' ' LEU . 44.3 t -62.07 -46.2 97.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -59.79 -47.3 86.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -69.65 -27.84 72.88 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 55.4 p -70.4 166.11 21.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.958 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -100.07 70.77 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.824 HD11 ' CH2' ' A' ' 153' ' ' TRP . 12.6 mt -97.74 160.01 29.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.641 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.2 Cg_endo -74.99 164.46 33.32 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.3 Cg_endo -75.06 77.13 3.22 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.4 OUTLIER 164.73 -30.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.029 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.641 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -83.07 -11.7 57.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . 0.559 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 63.4 mtm180 -86.53 70.36 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.884 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 171.76 -56.47 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 187' ' ' PRO . . . . . 0.884 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.2 Cg_endo -74.96 -31.49 6.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.528 1.804 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 63.9 t -64.14 -36.97 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 189' ' ' ILE . . . . . 0.619 HD13 HG12 ' A' ' 172' ' ' ILE . 25.8 mt -67.95 -47.61 78.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 190' ' ' ILE . . . . . 0.501 HD11 ' CA ' ' A' ' 214' ' ' THR . 8.8 mt -69.07 -35.65 69.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.63 -40.63 83.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 192' ' ' CYS . . . . . 0.405 ' HB3' HD11 ' A' ' 171' ' ' LEU . 1.8 m -63.06 -47.84 81.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 108.296 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 193' ' ' PHE . . . . . 0.58 ' HB3' HD13 ' A' ' 205' ' ' ILE . 13.4 m-30 -53.74 -40.04 65.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 194' ' ' ARG . . . . . 0.452 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 3.8 ptm180 -93.28 7.66 43.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -87.01 -41.63 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 196' ' ' LYS . . . . . 0.599 ' HD3' HG23 ' A' ' 157' ' ' THR . 7.6 tttp -145.52 -89.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 197' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 196' ' ' LYS . 1.8 m 38.77 -158.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -84.16 168.81 19.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -45.44 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.42 -50.25 74.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 26.8 mm -64.58 -41.19 91.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 202' ' ' GLN . . . . . 0.419 ' NE2' ' O ' ' A' ' 194' ' ' ARG . 26.2 tp60 -63.72 -45.06 91.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -65.84 -32.71 74.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.249 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . 0.844 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.4 OUTLIER -70.49 -49.31 49.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.58 HD13 ' HB3' ' A' ' 193' ' ' PHE . 1.4 mt -64.09 -45.87 95.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -33.97 73.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -90.84 5.02 50.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 208' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -63.81 158.56 60.32 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 153.68 41.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.21 20.23 4.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 42.9 m -101.84 -9.46 20.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.442 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 212' ' ' LEU . . . . . 0.753 ' O ' HG23 ' A' ' 213' ' ' THR . 0.3 OUTLIER -142.4 143.35 32.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . 0.753 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.4 p -161.27 51.11 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 214' ' ' THR . . . . . 0.71 HG22 ' HD2' ' A' ' 215' ' ' PRO . 0.2 OUTLIER -126.87 158.52 68.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.428 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 215' ' ' PRO . . . . . 0.71 ' HD2' HG22 ' A' ' 214' ' ' THR . 18.5 Cg_endo -74.98 61.38 5.65 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 111.017 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -165.07 -61.0 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -74.18 -30.11 62.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 218' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 218' ' ' ILE . 0.4 OUTLIER -63.59 -42.55 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 219' ' ' ILE . . . . . 0.835 HG21 HG22 ' A' ' 165' ' ' VAL . 4.0 mt -76.18 -46.05 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.25 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -55.62 -45.02 77.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -60.41 -48.52 81.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.527 HG22 ' HB3' ' A' ' 204' ' ' LEU . 3.8 t -60.28 -50.36 80.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.608 HD11 ' CG2' ' A' ' 165' ' ' VAL . 94.7 mt -59.18 -36.3 75.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -49.0 71.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 225' ' ' ARG . . . . . 0.844 ' HB3' HD11 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -60.82 -37.69 82.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.413 ' CD ' HD12 ' A' ' 18' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -29.8 7.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.797 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.411 ' CG ' ' N ' ' A' ' 18' ' ' LEU . 1.9 pttt -58.81 -50.19 74.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.413 HD12 ' CD ' ' A' ' 15' ' ' GLU . 42.6 mt -68.91 -44.84 72.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.544 HG23 ' CD1' ' A' ' 56' ' ' LEU . 25.0 mt -58.37 -37.56 64.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.9 m -65.71 -41.08 92.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -66.42 -45.32 80.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 26' ' ' VAL . 10.8 mt -65.58 -45.96 81.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.406 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -60.1 -39.13 85.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.823 ' O ' HG23 ' A' ' 28' ' ' THR . 0.2 OUTLIER -61.71 -44.54 96.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.516 HG22 ' CD ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -59.44 -37.3 77.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.527 ' CG1' HG23 ' A' ' 36' ' ' THR . 73.8 t -58.86 -44.48 90.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -48.37 73.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.823 HG23 ' O ' ' A' ' 24' ' ' ASP . 21.3 p -67.39 -28.13 67.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.568 ' CB ' HG21 ' A' ' 35' ' ' ILE . 9.4 mmtm -89.38 -14.45 35.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 96.07 125.62 4.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.79 -41.15 83.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.74 2.34 53.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 m -92.21 161.57 32.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.507 ' O ' ' CG1' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.0 103.66 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.456 1.766 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.568 HG21 ' CB ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER 163.37 -27.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.734 HG21 ' CE1' ' A' ' 140' ' ' PHE . 89.5 m -58.16 -48.92 78.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.482 ' SD ' HD23 ' A' ' 137' ' ' LEU . 29.7 mmt -64.13 -33.68 76.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.77 -52.26 26.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.516 ' CD ' HG22 ' A' ' 25' ' ' THR . 1.5 mt-10 -61.72 -43.84 98.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 36' ' ' THR . 70.4 t -64.53 -46.59 92.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.683 ' HG3' HD21 ' A' ' 137' ' ' LEU . 32.1 mt-10 -63.34 -24.8 68.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -66.76 -55.42 15.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.861 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -70.37 -46.54 63.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.503 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 25.1 mtt -70.51 -10.04 58.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 44' ' ' MET . 4.4 m -34.28 -36.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.005 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' MET . 1.1 m -105.76 164.97 13.91 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.89 35.79 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.512 1.796 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.784 HD13 HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -146.79 -179.63 6.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.601 HD21 ' HB2' ' A' ' 121' ' ' ALA . 3.1 mt -82.66 161.48 58.65 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.484 ' HB3' HG21 ' A' ' 132' ' ' ILE . 18.3 Cg_endo -74.95 -33.07 4.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.469 1.773 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -68.4 -44.3 75.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.593 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -33.06 74.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.784 HG23 HD13 ' A' ' 48' ' ' LEU . 2.7 t -54.69 -46.74 73.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 50' ' ' PRO . 33.9 p -65.83 -35.1 79.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -67.68 -44.23 78.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.861 HD21 ' CD1' ' A' ' 43' ' ' LEU . 9.2 tp -67.43 -47.0 71.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.494 ' HG3' ' CE2' ' A' ' 69' ' ' TRP . 12.0 mmt -59.63 -45.09 93.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 61' ' ' LEU . 4.2 ttt180 -55.33 -36.08 65.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.2 t -68.65 -34.34 64.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.695 HG21 ' HE2' ' A' ' 140' ' ' PHE . 52.5 mt -80.98 -44.45 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.555 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -116.97 130.59 56.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.485 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -51.26 -173.52 0.02 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -19.87 17.39 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.451 1.764 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.964 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -69.59 -59.42 4.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.964 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.02 3.05 5.97 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.421 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 24.0 t80 -74.18 -45.42 48.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.25 -31.15 71.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.643 HD13 ' HA ' ' A' ' 65' ' ' PRO . 6.6 mp -67.57 -43.13 81.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.625 ' CH2' HG12 ' A' ' 53' ' ' VAL . 54.1 t90 -67.64 -35.64 79.28 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.7 tpp -66.35 -36.22 82.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.78 -41.6 71.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.644 ' HB2' ' OE1' ' A' ' 142' ' ' GLU . . . -73.46 -37.15 65.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.576 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 16.4 t90 -60.08 -40.48 89.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 108.001 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.34 -40.79 98.15 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.439 1.087 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.5 t -67.97 -47.14 80.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.42 ' O ' ' HB ' ' A' ' 79' ' ' THR . 1.5 mp0 -60.66 -45.26 94.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.517 ' HA ' HD23 ' A' ' 77' ' ' LEU . 2.4 mt -55.87 -43.87 77.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -61.7 -35.08 76.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 76' ' ' GLN . 0.9 OUTLIER -62.59 -35.72 80.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.3 t -71.16 -35.21 57.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.648 HD11 HD12 ' A' ' 106' ' ' LEU . 11.3 mm -69.81 -50.22 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.4 -37.53 87.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 79' ' ' THR . . . -61.73 -49.03 78.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.65 91.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.3 m -62.26 -28.99 70.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.422 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -75.08 -42.77 56.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.27 115.74 21.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 54.82 3.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.791 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -143.48 15.87 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.46 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -81.21 136.91 49.41 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.577 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -74.97 -21.73 15.62 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.768 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.479 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -64.64 -21.99 66.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 90' ' ' HIS . 10.7 p30 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.3 t -74.5 169.55 17.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -145.58 147.89 32.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.442 HD11 ' HB3' ' A' ' 77' ' ' LEU . 5.1 tp -63.57 -35.0 79.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.58 -45.45 86.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -56.8 -46.79 81.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.667 HD22 ' CG1' ' A' ' 132' ' ' ILE . 20.7 mt -69.88 -24.09 63.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -51.18 68.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.474 ' HA2' ' CE ' ' A' ' 113' ' ' MET . . . 105.51 24.26 7.17 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.093 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.807 HD12 HG11 ' A' ' 114' ' ' VAL . 24.4 tp -108.56 -3.42 18.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.542 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.33 139.63 54.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.19 137.79 55.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.3 -18.03 58.11 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.858 ' SD ' HD22 ' A' ' 123' ' ' LEU . 8.3 mtp -100.99 -38.48 8.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 0.742 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.807 HG11 HD12 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -77.91 136.14 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 94.29 3.28 63.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -161.76 117.61 1.3 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.413 ' O ' ' CG ' ' A' ' 120' ' ' GLN . 18.4 Cg_endo -74.98 -42.48 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -75.56 -25.64 57.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -74.3 -40.27 41.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.634 ' O ' HD12 ' A' ' 124' ' ' LEU . 10.4 pt20 -65.93 -40.36 91.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 0.795 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.601 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -66.45 -38.06 86.53 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.62 -19.79 54.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.858 HD22 ' SD ' ' A' ' 113' ' ' MET . 5.3 tt -83.72 -42.57 16.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.757 HD21 ' CE ' ' A' ' 113' ' ' MET . 0.4 OUTLIER -79.68 104.58 10.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.414 ' N ' ' HD2' ' A' ' 125' ' ' ARG . 0.2 OUTLIER -41.29 158.89 0.18 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 108.86 2.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.478 1.778 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 153.19 -48.91 0.52 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.479 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 17.6 mt-10 -60.48 -31.65 70.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' A' ' 132' ' ' ILE . 11.1 mt -57.8 -48.72 78.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 42.7 t -59.52 -39.35 79.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.25 -41.79 84.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.667 ' CG1' HD22 ' A' ' 106' ' ' LEU . 19.4 mt -68.95 -39.02 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.441 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 15.4 m -64.45 -45.02 89.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.412 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.5 98.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.1 t -69.02 -39.3 79.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.021 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -60.93 -41.95 97.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.683 HD21 ' HG3' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -63.09 -45.52 91.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.49 -30.76 71.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.527 ' HB3' ' NE1' ' A' ' 69' ' ' TRP . . . -67.74 -33.62 75.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.734 ' CE1' HG21 ' A' ' 36' ' ' THR . 1.8 t80 -66.75 -46.4 75.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -61.43 -26.86 68.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.644 ' OE1' ' HB2' ' A' ' 72' ' ' ALA . 1.1 tm-20 -69.97 -41.96 73.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.541 HG22 ' HB3' ' A' ' 68' ' ' LEU . 41.7 t -76.14 -42.28 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -57.08 -42.29 80.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.251 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 155' ' ' ASP . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' TRP . . . . . 0.806 ' HA ' HD12 ' A' ' 156' ' ' ILE . 1.4 p90 -51.4 -35.76 40.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 108.013 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.16 -32.87 73.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 152' ' ' PRO . 3.4 t0 -79.9 -22.06 43.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.806 HD12 ' HA ' ' A' ' 153' ' ' TRP . 49.0 mt -78.78 120.81 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 1.005 HG21 ' HE2' ' A' ' 196' ' ' LYS . 24.6 m -129.12 137.13 51.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.384 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . 0.648 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 0.1 OUTLIER -71.73 129.81 39.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -126.07 164.44 19.64 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -28.06 9.53 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 9.1 t -79.39 -11.82 59.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.038 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -114.3 135.05 54.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 167' ' ' PHE . 0.4 OUTLIER -58.13 139.2 55.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.973 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.757 ' CE2' HG23 ' A' ' 219' ' ' ILE . 18.8 t80 -65.1 -52.16 57.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.836 HG23 ' CG2' ' A' ' 219' ' ' ILE . 0.3 OUTLIER -65.35 -45.52 93.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.435 ' N ' ' CG1' ' A' ' 165' ' ' VAL . 5.4 t70 -60.35 -44.45 95.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.648 ' CZ ' ' N ' ' A' ' 158' ' ' GLN . 47.5 t80 -64.96 -41.77 95.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.407 ' O ' HD12 ' A' ' 172' ' ' ILE . . . -56.89 -37.87 72.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -63.34 -43.54 97.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -63.22 -37.55 87.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.586 HD12 ' CZ ' ' A' ' 167' ' ' PHE . 0.5 OUTLIER -70.82 -45.14 65.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.526 HG12 HD13 ' A' ' 189' ' ' ILE . 13.6 mt -61.68 -41.98 92.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.45 -35.95 82.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.454 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -68.49 -51.78 39.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 0.763 HG13 HD12 ' A' ' 180' ' ' LEU . 47.3 t -58.84 -47.62 88.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -53.06 -39.79 63.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -98.63 30.13 10.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 31.7 p -119.13 165.88 13.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 110.017 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -88.44 79.64 7.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.763 HD12 HG13 ' A' ' 175' ' ' VAL . 18.2 mt -121.92 152.64 59.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.63 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.4 Cg_endo -74.95 164.56 33.17 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.4 Cg_endo -74.96 79.42 2.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.4 OUTLIER 161.19 -27.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.018 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.63 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -81.71 -11.77 58.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . 0.514 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 90.3 mtm180 -85.02 70.35 10.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.892 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 175.1 -57.05 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 187' ' ' PRO . . . . . 0.892 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.2 Cg_endo -75.0 -28.16 9.4 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.477 1.777 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 184' ' ' ALA . 74.3 t -67.45 -45.03 86.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 189' ' ' ILE . . . . . 0.62 HG22 ' CZ ' ' A' ' 193' ' ' PHE . 51.9 mt -63.16 -47.84 90.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 190' ' ' ILE . . . . . 0.626 HG23 HG21 ' A' ' 218' ' ' ILE . 26.2 mt -66.84 -36.62 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 191' ' ' ASP . . . . . 0.4 ' C ' ' OD1' ' A' ' 191' ' ' ASP . 16.0 t0 -62.67 -41.1 98.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 192' ' ' CYS . . . . . 0.401 ' HB3' HD11 ' A' ' 171' ' ' LEU . 3.7 m -56.4 -47.23 79.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 108.294 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 193' ' ' PHE . . . . . 0.62 ' CZ ' HG22 ' A' ' 189' ' ' ILE . 10.7 m-30 -53.53 -36.62 61.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 194' ' ' ARG . . . . . 0.574 ' HB3' HG21 ' A' ' 205' ' ' ILE . 0.7 OUTLIER -102.81 16.58 26.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 12.7 tm0? -97.96 -34.46 10.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 196' ' ' LYS . . . . . 1.005 ' HE2' HG21 ' A' ' 157' ' ' THR . 1.8 ttpm? -168.54 73.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 197' ' ' SER . . . . . 0.419 ' HB2' ' NE2' ' A' ' 158' ' ' GLN . 7.2 p -138.88 165.66 26.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -43.87 167.6 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -41.08 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.423 1.749 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -63.86 -43.06 97.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 24.4 mm -67.99 -45.2 84.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 202' ' ' GLN . . . . . 0.42 ' O ' ' NE2' ' A' ' 202' ' ' GLN . 28.2 tp60 -64.38 -48.38 75.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -59.99 -27.92 67.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . 0.833 HD21 ' CB ' ' A' ' 225' ' ' ARG . 0.3 OUTLIER -70.19 -49.05 54.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.574 HG21 ' HB3' ' A' ' 194' ' ' ARG . 0.5 OUTLIER -64.4 -44.67 97.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 206' ' ' ARG . . . . . 0.414 ' HG3' ' NE2' ' A' ' 202' ' ' GLN . 10.6 mtt-85 -64.05 -33.69 76.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -92.65 4.96 52.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 208' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -69.95 159.2 85.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 154.81 42.79 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.5 18.33 8.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 1.5 m -98.56 -14.95 19.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.381 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 212' ' ' LEU . . . . . 0.639 ' O ' HG23 ' A' ' 213' ' ' THR . 0.3 OUTLIER -135.86 141.36 44.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 212' ' ' LEU . 3.8 p -158.42 45.06 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.387 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 214' ' ' THR . . . . . 0.442 ' CA ' HD11 ' A' ' 190' ' ' ILE . 22.3 p -121.06 158.59 52.26 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.442 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 55.37 3.94 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -161.72 -51.95 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -74.67 -33.96 62.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 218' ' ' ILE . . . . . 0.626 HG21 HG23 ' A' ' 190' ' ' ILE . 5.2 mm -64.29 -47.91 87.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 219' ' ' ILE . . . . . 0.836 ' CG2' HG23 ' A' ' 165' ' ' VAL . 4.4 mt -67.89 -46.1 82.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -39.39 79.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.487 ' CZ ' HD23 ' A' ' 204' ' ' LEU . 2.8 t80 -68.33 -46.84 69.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.42 HG13 HD13 ' A' ' 204' ' ' LEU . 9.3 t -60.78 -46.61 95.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.73 HD11 ' CG2' ' A' ' 165' ' ' VAL . 16.0 mt -59.49 -36.33 75.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.21 -45.94 68.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 225' ' ' ARG . . . . . 0.833 ' CB ' HD21 ' A' ' 204' ' ' LEU . 1.7 tpm_? -61.29 -43.92 98.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -24.13 13.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.524 1.802 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.83 -50.52 68.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.62 -45.38 90.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.5 mt -59.81 -37.32 71.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.6 m -57.89 -38.09 75.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.413 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -48.71 75.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.659 HD21 ' HG3' ' A' ' 39' ' ' GLU . 2.8 tt -66.9 -37.54 84.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.559 ' HB2' HG12 ' A' ' 60' ' ' ILE . . . -66.49 -34.23 77.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.748 ' O ' HG23 ' A' ' 28' ' ' THR . 22.2 m-20 -61.87 -38.27 87.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.479 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.5 m -65.98 -37.11 85.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.831 ' CG1' HG23 ' A' ' 36' ' ' THR . 3.4 t -60.49 -49.32 84.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -60.7 -48.82 80.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.748 HG23 ' O ' ' A' ' 24' ' ' ASP . 68.5 p -65.11 -30.17 71.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.407 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.713 ' CB ' HG21 ' A' ' 35' ' ' ILE . 11.1 mmtt -83.22 -14.11 53.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.96 123.68 5.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.736 HD11 ' HE1' ' A' ' 140' ' ' PHE . 0.7 OUTLIER -67.15 -26.66 66.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.749 . . . . 0.0 109.261 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -93.38 2.19 56.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.4 m -85.87 157.47 57.42 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 110.027 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.41 20.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.713 HG21 ' CB ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -63.56 -24.06 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.831 HG23 ' CG1' ' A' ' 26' ' ' VAL . 87.7 m -61.98 -49.88 74.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.394 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 37.1 mmt -64.89 -35.09 80.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.92 -52.59 34.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.659 ' HG3' HD21 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -60.77 -47.85 84.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 36' ' ' THR . 70.6 t -60.52 -49.33 84.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.625 ' HG3' HD22 ' A' ' 137' ' ' LEU . 28.6 mt-10 -58.7 -24.12 60.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -65.43 -54.74 24.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.455 HD11 HD21 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -72.74 -40.77 65.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.572 ' SD ' HD11 ' A' ' 137' ' ' LEU . 25.7 mtt -76.09 -9.71 58.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' GLU . 3.5 m -34.62 -35.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 44' ' ' MET . 45.9 m -100.87 156.24 35.39 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.975 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 149.51 36.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.423 1.749 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.734 HD13 HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -145.27 -175.0 4.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.85 HD21 ' HB2' ' A' ' 121' ' ' ALA . 0.3 OUTLIER -88.17 165.29 29.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.459 ' O ' HG23 ' A' ' 54' ' ' THR . 18.3 Cg_endo -74.99 -27.7 9.81 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.439 1.757 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.439 ' O ' ' OG1' ' A' ' 54' ' ' THR . 7.5 t-160 -67.27 -51.34 54.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.636 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 1.4 t70 -64.77 -31.65 72.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 49' ' ' LEU . 3.0 t -54.61 -47.09 72.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 50' ' ' PRO . 72.6 p -67.94 -37.58 81.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.469 ' CG ' ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -63.7 -45.41 90.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.469 ' N ' ' CG ' ' A' ' 55' ' ' ASN . 2.7 tp -69.68 -51.4 34.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.568 ' HG3' ' CZ2' ' A' ' 69' ' ' TRP . 15.2 mmt -57.66 -29.52 64.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 4.3 ttt180 -69.67 -34.19 73.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 t -74.07 -48.07 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.559 HG12 ' HB2' ' A' ' 23' ' ' ALA . 5.6 mt -74.39 -45.49 46.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.803 HD23 ' CE1' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -90.21 131.86 35.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.468 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -57.21 173.83 2.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.504 ' O ' ' CB ' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -75.04 -47.46 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.754 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -60.92 -51.88 76.25 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.754 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.03 2.66 6.4 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 58' ' ' ARG . 4.0 t80 -68.62 -48.63 63.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.94 -33.64 70.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.479 ' HG ' ' HA ' ' A' ' 65' ' ' PRO . 9.1 mt -62.23 -46.41 88.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.716 ' CZ3' ' CE3' ' A' ' 73' ' ' TRP . 65.8 t90 -58.56 -42.08 87.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 108.003 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 11.3 mmt -63.85 -33.85 76.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -71.04 -44.89 64.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.487 ' HB2' ' OE2' ' A' ' 142' ' ' GLU . . . -73.28 -30.73 63.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.716 ' CE3' ' CZ3' ' A' ' 69' ' ' TRP . 15.4 t90 -69.17 -49.35 57.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 107.967 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.77 -48.94 60.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 25.1 t -68.1 -43.48 85.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.411 ' O ' ' HB ' ' A' ' 79' ' ' THR . 54.4 mm-40 -55.13 -46.31 75.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.257 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.803 ' CD2' HD13 ' A' ' 106' ' ' LEU . 2.2 mt -56.86 -50.16 73.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.517 ' HA ' HD13 ' A' ' 103' ' ' LEU . 38.1 mt-30 -59.64 -33.62 71.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.484 ' O ' ' CB ' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -61.97 -35.73 79.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.456 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.532 HG13 ' CE1' ' A' ' 90' ' ' HIS . 3.0 t -71.91 -34.96 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.4 mm -71.18 -50.3 42.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.421 ' O ' HG22 ' A' ' 85' ' ' THR . . . -66.06 -38.55 88.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 79' ' ' THR . . . -62.6 -27.26 69.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.08 -50.52 14.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.421 HG22 ' O ' ' A' ' 82' ' ' ALA . 1.2 t -63.81 -32.08 73.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.369 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.8 ttt85 -74.68 -41.52 60.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.71 117.7 12.12 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 55.07 3.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.46 1.768 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -135.09 14.08 3.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.532 ' CE1' HG13 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -82.46 136.86 45.36 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.573 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.444 ' O ' ' NH1' ' A' ' 125' ' ' ARG . 18.2 Cg_endo -75.01 -21.8 15.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.769 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.52 ' HB1' ' OE1' ' A' ' 128' ' ' GLU . . . -72.92 -15.86 61.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.503 ' OD1' ' CB ' ' A' ' 90' ' ' HIS . 2.8 p-10 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.1 t -72.74 170.12 15.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -136.28 145.48 45.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.621 HD11 ' HB3' ' A' ' 77' ' ' LEU . 13.7 tp -58.45 -45.85 87.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.523 ' HA ' ' CG ' ' A' ' 107' ' ' LYS . 13.9 t0 -53.8 -37.65 63.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -35.39 60.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.803 HD13 ' CD2' ' A' ' 77' ' ' LEU . 62.6 mt -86.42 -23.91 25.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.523 ' CG ' ' HA ' ' A' ' 104' ' ' ASP . 61.7 mmtt -55.92 -48.82 75.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 100.69 13.33 35.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.656 ' HA ' HG22 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -97.98 0.78 47.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.306 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.88 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.97 147.7 33.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -58.2 130.77 48.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 91.09 -15.16 61.65 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.88 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 35.9 mtp -102.89 -20.89 14.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 0.79 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.656 HG22 ' HA ' ' A' ' 109' ' ' LEU . 2.3 t -77.29 126.29 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 82.31 3.22 90.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -138.05 101.19 8.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.76 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -65.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -43.55 70.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.36 -38.33 96.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.533 ' CG ' HD11 ' A' ' 124' ' ' LEU . 11.0 tt0 -63.9 -44.51 92.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.759 . . . . 0.0 110.306 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.85 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -63.38 -32.07 73.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.96 -24.76 55.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.775 ' O ' HD23 ' A' ' 123' ' ' LEU . 2.8 tt -79.65 -42.22 25.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.667 HD21 ' CE ' ' A' ' 113' ' ' MET . 1.2 mt -75.69 112.57 12.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.444 ' NH1' ' O ' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -38.43 157.67 0.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 108.82 2.8 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 147.18 -33.13 1.36 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.555 ' OE1' HD21 ' A' ' 106' ' ' LEU . 3.6 mm-40 -61.61 -39.63 91.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -39.08 84.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 41.8 t -60.15 -39.75 81.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.8 -39.08 83.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 4.2 mt -67.36 -39.03 81.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.503 ' O ' HD12 ' A' ' 137' ' ' LEU . 25.1 m -67.79 -46.65 71.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.424 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.19 -48.25 80.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 9.4 p -64.04 -35.1 79.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.02 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.06 -42.85 99.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.625 HD22 ' HG3' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -69.71 -42.18 74.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.83 -35.75 77.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.99 -32.51 65.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.803 ' CE1' HD23 ' A' ' 61' ' ' LEU . 1.2 t80 -69.1 -63.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.962 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -25.07 33.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.487 ' OE2' ' HB2' ' A' ' 72' ' ' ALA . 32.0 tt0 -69.49 -42.24 75.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.403 HG21 ' N ' ' A' ' 69' ' ' TRP . 37.8 t -73.19 -20.55 18.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -72.96 -41.59 64.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' PRO . . . . . 0.57 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 110.991 -0.427 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' TRP . . . . . 0.767 ' CH2' HD11 ' A' ' 180' ' ' LEU . 30.7 p90 -101.03 -18.73 16.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 108.004 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.74 -32.68 73.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -79.65 -20.17 47.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.61 HG22 ' CE1' ' A' ' 167' ' ' PHE . 10.7 mt -83.58 120.83 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.658 HG22 ' HD3' ' A' ' 196' ' ' LYS . 35.9 p -130.65 130.63 44.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . 0.575 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 34.4 tp60 -71.51 129.84 39.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -116.2 159.64 13.78 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.516 1.135 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -21.13 16.16 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.782 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 53.3 m -83.88 -21.31 32.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -102.35 135.76 43.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.14 132.8 54.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.994 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.869 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.9 OUTLIER -56.03 -51.73 66.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.989 HG23 HG21 ' A' ' 219' ' ' ILE . 0.6 OUTLIER -63.02 -44.22 99.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.417 ' N ' ' CG1' ' A' ' 165' ' ' VAL . 21.5 t0 -56.68 -47.94 78.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.61 ' CE1' HG22 ' A' ' 156' ' ' ILE . 61.2 t80 -67.33 -41.5 85.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.5 -41.84 73.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -61.04 -46.53 90.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 7.0 mmm-85 -58.73 -37.57 76.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.565 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.7 OUTLIER -71.11 -45.69 63.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.5 HG12 HD13 ' A' ' 189' ' ' ILE . 46.8 mt -60.01 -37.06 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.89 -39.11 83.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -67.58 -48.2 67.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 0.563 HG21 HG13 ' A' ' 189' ' ' ILE . 53.9 t -61.72 -47.65 92.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.497 ' OE2' ' CG2' ' A' ' 172' ' ' ILE . 3.9 mt-10 -56.24 -33.92 65.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -99.2 29.92 10.89 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 82.7 p -125.53 166.11 17.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 0.763 . . . . 0.0 110.018 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -94.41 89.38 5.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.767 HD11 ' CH2' ' A' ' 153' ' ' TRP . 12.3 mt -123.92 156.94 64.88 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.651 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.3 Cg_endo -75.01 165.54 31.09 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.523 1.801 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' PRO . . . . . 0.434 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.2 Cg_endo -75.01 77.04 3.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 1.0 OUTLIER 164.38 -31.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.651 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -79.7 -11.85 59.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . 0.567 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 22.0 mtm180 -87.47 67.7 9.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.875 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 172.18 -56.29 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 187' ' ' PRO . . . . . 0.875 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.2 Cg_endo -75.02 -26.91 10.43 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 55.7 t -68.1 -41.94 84.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 189' ' ' ILE . . . . . 0.563 HG13 HG21 ' A' ' 175' ' ' VAL . 19.3 mt -68.53 -47.67 75.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 190' ' ' ILE . . . . . 0.747 HD11 ' C ' ' A' ' 214' ' ' THR . 81.7 mt -66.61 -37.68 80.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 191' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 187' ' ' PRO . 8.3 t70 -67.79 -40.45 83.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.366 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.41 -42.59 78.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 108.262 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 193' ' ' PHE . . . . . 0.494 ' CZ ' HG22 ' A' ' 189' ' ' ILE . 10.8 m-30 -58.46 -50.43 73.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 194' ' ' ARG . . . . . 0.461 ' HB3' HG21 ' A' ' 205' ' ' ILE . 23.6 ptt180 -86.26 13.6 7.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . 0.409 ' O ' ' NE2' ' A' ' 195' ' ' GLN . 1.1 tm0? -119.81 -4.73 10.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 196' ' ' LYS . . . . . 0.658 ' HD3' HG22 ' A' ' 157' ' ' THR . 0.0 OUTLIER -146.56 -59.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 197' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 193' ' ' PHE . 1.3 p -37.05 153.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.951 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -45.19 170.14 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 110.318 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -33.87 4.32 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.553 1.817 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.68 -50.54 72.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 9.1 mm -69.1 -36.03 71.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -66.67 -38.9 87.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -61.76 -37.79 85.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . 0.452 HD23 ' CZ ' ' A' ' 221' ' ' TYR . 0.3 OUTLIER -63.73 -43.75 95.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.475 ' O ' ' HB3' ' A' ' 208' ' ' ALA . 0.6 OUTLIER -67.72 -44.91 85.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -61.57 -33.97 74.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.327 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -89.83 4.24 50.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 208' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -61.3 159.74 28.37 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 209' ' ' PRO . . . . . 0.663 ' HD2' HD11 ' A' ' 212' ' ' LEU . 18.5 Cg_endo -74.95 155.15 43.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.05 18.14 5.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 1.7 m -104.35 -10.11 18.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 212' ' ' LEU . . . . . 0.709 ' O ' HG23 ' A' ' 213' ' ' THR . 0.5 OUTLIER -140.45 140.25 35.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 212' ' ' LEU . 2.0 p -160.13 45.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 214' ' ' THR . . . . . 0.747 ' C ' HD11 ' A' ' 190' ' ' ILE . 18.0 p -123.03 157.99 58.89 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 55.23 3.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -157.53 -58.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -73.88 -30.33 62.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.273 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 218' ' ' ILE . . . . . 0.68 HG12 HD13 ' A' ' 190' ' ' ILE . 1.3 mp -63.96 -44.72 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 219' ' ' ILE . . . . . 0.989 HG21 HG23 ' A' ' 165' ' ' VAL . 3.3 mt -70.93 -50.16 44.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -56.37 -31.3 63.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.452 ' CZ ' HD23 ' A' ' 204' ' ' LEU . 1.0 OUTLIER -71.92 -49.1 40.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.437 HG22 ' HB3' ' A' ' 204' ' ' LEU . 23.7 t -61.02 -50.98 78.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 68.9 mt -59.29 -39.08 81.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -65.64 -37.28 86.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 225' ' ' ARG . . . . . 0.419 ' CG ' HD21 ' A' ' 204' ' ' LEU . 4.0 tpt180 -70.75 -41.22 72.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.467 ' O ' ' CG1' ' A' ' 19' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 15' ' ' GLU . 18.3 Cg_endo -75.0 -39.46 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.479 1.778 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -68.15 -43.66 77.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.95 -43.66 74.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.568 HG23 ' CD1' ' A' ' 56' ' ' LEU . 31.1 mt -58.82 -37.08 64.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.0 m -64.9 -39.86 94.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.409 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -48.42 68.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.644 HD23 ' CD ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -64.26 -40.67 96.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.563 ' HB1' ' HA ' ' A' ' 60' ' ' ILE . . . -60.91 -37.79 83.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.54 -43.1 99.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.488 HG22 ' OE1' ' A' ' 39' ' ' GLU . 1.3 m -58.74 -36.61 74.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 110.419 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.74 HG13 HG23 ' A' ' 36' ' ' THR . 3.6 t -61.88 -42.2 93.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -67.22 -48.91 66.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.9 p -68.28 -33.99 75.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 33' ' ' SER . 13.3 mmtt -81.1 -14.41 57.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.45 127.18 2.75 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.556 ' CD2' ' CZ ' ' A' ' 140' ' ' PHE . 0.1 OUTLIER -67.83 -33.16 74.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.01 2.63 56.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -95.48 156.13 37.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 0.0 109.983 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.04 99.65 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.522 1.801 . . . . 0.0 111.037 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.495 HG21 ' HB3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER 164.3 -31.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.74 HG23 HG13 ' A' ' 26' ' ' VAL . 18.2 m -62.69 -48.94 77.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.393 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -44.32 93.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.12 -40.6 90.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.644 ' CD ' HD23 ' A' ' 22' ' ' LEU . 1.5 mt-10 -64.37 -48.39 75.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.646 HG21 ' CE2' ' A' ' 140' ' ' PHE . 97.5 t -62.86 -41.38 92.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 45' ' ' SER . 0.7 OUTLIER -69.93 -24.73 63.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -61.66 -54.95 35.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.824 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -71.06 -37.98 72.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.57 ' SD ' HD12 ' A' ' 137' ' ' LEU . 9.7 mtt -74.2 -10.96 60.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' GLU . 35.3 t -36.33 -33.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.949 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -109.04 166.6 10.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.23 37.79 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.464 1.771 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.42 ' CD1' ' OG1' ' A' ' 133' ' ' THR . 0.3 OUTLIER -153.95 163.16 40.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.649 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.3 mt -67.65 163.72 45.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.545 ' O ' HG23 ' A' ' 54' ' ' THR . 18.4 Cg_endo -74.98 -30.15 7.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.427 ' O ' ' OG1' ' A' ' 54' ' ' THR . 0.3 OUTLIER -67.52 -41.89 83.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.563 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 0.5 OUTLIER -63.96 -32.01 73.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 49' ' ' LEU . 61.5 t -60.23 -44.13 94.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.407 1.067 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 50' ' ' PRO . 28.6 p -66.78 -45.73 77.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.459 ' CG ' ' N ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -63.65 -42.56 98.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.824 HD21 ' CD1' ' A' ' 43' ' ' LEU . 8.3 tp -65.84 -52.22 52.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.529 ' SD ' HD21 ' A' ' 61' ' ' LEU . 10.8 mmt -57.69 -41.32 81.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.485 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 5.8 ttt85 -55.87 -35.47 66.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.483 HG12 ' CB ' ' A' ' 23' ' ' ALA . 48.4 t -74.02 -34.19 38.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.563 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 64.2 mt -77.59 -44.14 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.675 HD22 ' CE1' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -121.11 137.56 54.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.512 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -62.6 -166.44 0.6 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.466 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.92 -25.74 11.75 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.541 1.811 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.908 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -68.76 -57.41 8.1 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.908 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.97 2.38 6.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.485 ' CE1' ' HB2' ' A' ' 58' ' ' ARG . 0.8 OUTLIER -73.55 -51.7 16.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.94 -28.95 69.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.479 ' C ' HG21 ' A' ' 143' ' ' VAL . 5.1 mp -67.07 -48.54 67.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.656 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 25.2 t90 -71.18 -41.27 70.55 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -46.37 89.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -62.58 -46.95 85.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.52 -35.28 79.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.656 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 11.2 t90 -56.6 -42.84 79.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 107.965 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.405 ' O ' ' NE2' ' A' ' 78' ' ' GLN . . . -61.85 -40.11 98.4 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.128 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.0 t -68.28 -47.86 76.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.756 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.433 ' NE2' ' HA ' ' A' ' 76' ' ' GLN . 18.5 mm100 -59.87 -45.58 92.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.599 ' HB3' HD11 ' A' ' 103' ' ' LEU . 2.6 mt -60.94 -45.02 96.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.452 ' HA ' HD13 ' A' ' 103' ' ' LEU . 38.9 mt-30 -59.95 -36.61 77.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 76' ' ' GLN . 0.9 OUTLIER -58.72 -40.61 84.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.398 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 t -66.47 -37.41 79.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.475 HD12 HG23 ' A' ' 101' ' ' THR . 10.9 mm -69.44 -38.99 78.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.0 -36.99 75.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.28 -49.38 72.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.13 -47.33 77.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.2 m -58.5 -39.3 79.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -75.21 -42.83 54.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.19 114.78 20.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.91 3.78 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.478 1.778 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.59 4.82 5.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.434 ' O ' ' CG ' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -82.19 134.14 49.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.59 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -20.25 17.07 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.536 1.808 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.453 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -59.97 -15.97 26.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.48 ' O ' ' OD1' ' A' ' 93' ' ' ASN . 45.1 p30 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.6 ttm-85 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.475 HG23 HD12 ' A' ' 81' ' ' ILE . 4.0 t -70.84 166.49 20.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -143.89 131.57 21.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.599 HD11 ' HB3' ' A' ' 77' ' ' LEU . 4.4 tp -55.6 -39.86 71.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -60.31 -45.25 94.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -57.65 -46.66 83.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.659 HD22 ' CG1' ' A' ' 132' ' ' ILE . 10.2 mt -67.71 -20.85 65.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.94 -43.5 92.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 105.1 1.63 41.75 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.596 ' HA ' HG22 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -83.94 6.4 21.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.797 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.5 144.85 41.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -60.76 126.78 28.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 89.26 -9.3 77.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.797 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 30.1 mtp -102.78 -17.75 15.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.596 HG22 ' HA ' ' A' ' 109' ' ' LEU . 2.1 t -85.21 121.89 37.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.06 2.34 68.97 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -138.74 104.24 7.57 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.459 0.74 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.48 ' CB ' ' CD1' ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.0 -69.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.527 1.804 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -53.74 -41.98 67.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.64 -40.99 99.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.469 1.106 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.797 ' HG2' HD21 ' A' ' 124' ' ' LEU . 0.6 OUTLIER -60.45 -45.14 94.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 0.737 . . . . 0.0 110.328 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -60.14 -31.34 69.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.12 -16.0 58.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.544 HD13 ' HG3' ' A' ' 113' ' ' MET . 0.6 OUTLIER -86.07 -17.08 36.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.797 HD21 ' HG2' ' A' ' 120' ' ' GLN . 0.1 OUTLIER -128.85 121.43 28.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.415 ' HD2' ' N ' ' A' ' 125' ' ' ARG . 0.2 OUTLIER -43.35 160.09 0.22 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 109.12 2.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 160.97 -44.6 0.4 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.453 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 7.5 mt-10 -57.07 -32.51 66.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 0.778 . . . . 0.0 110.261 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.709 ' HA ' HD12 ' A' ' 132' ' ' ILE . 0.3 OUTLIER -62.54 -41.69 99.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 56.9 t -59.53 -39.77 80.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.57 90.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.709 HD12 ' HA ' ' A' ' 129' ' ' LEU . 14.2 mt -69.07 -38.61 78.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.53 HG23 ' SD ' ' A' ' 44' ' ' MET . 58.6 m -68.37 -40.3 81.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.394 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.76 -42.51 77.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.5 p -68.97 -34.61 75.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.034 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.7 -43.3 97.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.601 ' CD1' HG12 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -70.02 -33.04 71.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -73.0 -29.51 63.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -78.75 -33.79 46.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.675 ' CE1' HD22 ' A' ' 61' ' ' LEU . 5.7 t80 -74.4 -40.7 61.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -70.73 -24.88 62.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -73.59 -41.57 62.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.479 HG21 ' C ' ' A' ' 68' ' ' LEU . 7.8 t -68.66 -43.35 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -72.9 -21.5 60.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' PRO . . . . . 0.534 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.898 0 N-CA-C 111.059 -0.4 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' TRP . . . . . 0.572 ' CH2' HD11 ' A' ' 180' ' ' LEU . 30.0 p90 -101.67 -30.65 11.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 108.027 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -54.08 -32.0 53.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -79.13 -22.14 45.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.108 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.599 HD11 ' HB2' ' A' ' 174' ' ' ALA . 15.5 mt -79.65 120.5 31.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.535 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 63.9 m -129.26 126.35 38.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . 0.659 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 14.7 tm0? -66.51 129.62 40.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . 0.439 ' O ' ' NE2' ' A' ' 158' ' ' GLN . . . -123.23 164.83 16.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -23.62 13.67 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.81 -31.01 61.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.414 ' HG3' ' NH2' ' A' ' 170' ' ' ARG . 46.5 mm-40 -99.77 135.66 40.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.458 ' HB2' ' CB ' ' A' ' 166' ' ' ASP . 2.7 m -57.39 156.12 8.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.722 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.8 OUTLIER -69.09 -51.83 34.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.938 HG23 HG21 ' A' ' 219' ' ' ILE . 1.1 p -66.23 -43.91 91.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.458 ' CB ' ' HB2' ' A' ' 163' ' ' SER . 39.5 t0 -56.3 -45.83 80.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.659 ' CZ ' ' N ' ' A' ' 158' ' ' GLN . 77.9 t80 -67.69 -43.46 80.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.583 ' O ' HD12 ' A' ' 172' ' ' ILE . . . -55.51 -34.2 64.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -66.3 -50.17 64.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 109.304 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.414 ' NH2' ' HG3' ' A' ' 162' ' ' GLU . 10.9 mtm105 -59.79 -38.13 81.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.489 HD12 ' CE2' ' A' ' 167' ' ' PHE . 3.3 tt -69.24 -49.45 56.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 168' ' ' ALA . 16.5 mt -57.68 -40.46 75.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -63.25 -36.93 85.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.599 ' HB2' HD11 ' A' ' 156' ' ' ILE . . . -68.33 -52.95 27.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 0.602 HG13 HD12 ' A' ' 180' ' ' LEU . 42.5 t -57.12 -45.61 84.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.435 ' OE1' HG22 ' A' ' 172' ' ' ILE . 41.5 mt-10 -58.53 -43.0 89.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -88.9 22.3 22.74 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.125 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 49.2 p -118.6 165.87 13.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 109.958 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.46 90.31 5.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.602 HD12 HG13 ' A' ' 175' ' ' VAL . 10.0 mt -119.16 162.77 30.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 172.43 16.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.791 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 136.75 20.82 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.789 . . . . 0.0 111.018 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.04 7.35 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -99.7 -15.48 18.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . 0.591 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 6.6 mtp180 -88.78 79.61 7.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.849 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 170.47 -55.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 187' ' ' PRO . . . . . 0.849 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -75.03 -27.64 9.79 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 29.1 t -70.88 -40.47 76.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 189' ' ' ILE . . . . . 0.55 HG13 HG21 ' A' ' 175' ' ' VAL . 19.1 mt -67.94 -48.27 75.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 190' ' ' ILE . . . . . 0.756 HD11 ' C ' ' A' ' 214' ' ' THR . 94.3 mt -64.62 -35.47 74.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.73 -43.43 90.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 192' ' ' CYS . . . . . 0.445 ' CB ' HD11 ' A' ' 171' ' ' LEU . 26.0 m -56.91 -49.47 75.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 108.29 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 193' ' ' PHE . . . . . 0.503 ' CZ ' ' CB ' ' A' ' 168' ' ' ALA . 13.3 m-30 -53.15 -40.75 64.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 194' ' ' ARG . . . . . 0.574 ' HB3' HG21 ' A' ' 205' ' ' ILE . 0.1 OUTLIER -96.25 15.67 20.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -94.51 -46.03 7.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.277 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 196' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 197' ' ' SER . 16.3 mtpt -141.17 -92.46 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 197' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 196' ' ' LYS . 0.7 OUTLIER 36.78 -156.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.021 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -80.48 158.79 70.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -38.82 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.464 1.771 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -65.62 -32.38 73.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 201' ' ' ILE . 16.6 mm -73.1 -45.27 54.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 202' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 194' ' ' ARG . 6.8 mt-30 -62.13 -38.6 89.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . 0.448 ' O ' ' NE2' ' A' ' 203' ' ' GLN . 31.5 tp60 -63.06 -34.84 78.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . 0.801 HD21 ' CG ' ' A' ' 225' ' ' ARG . 0.3 OUTLIER -70.37 -49.55 48.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.574 HG21 ' HB3' ' A' ' 194' ' ' ARG . 1.0 OUTLIER -62.45 -38.12 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -34.0 77.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -89.48 2.25 54.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.253 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 208' ' ' ALA . . . . . 0.513 ' HA ' ' CE2' ' A' ' 221' ' ' TYR . . . -62.37 158.19 49.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 209' ' ' PRO . . . . . 0.528 ' HB2' HG22 ' A' ' 211' ' ' THR . 18.3 Cg_endo -75.01 152.82 41.18 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.537 1.809 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.55 24.63 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.04 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . 0.528 HG22 ' HB2' ' A' ' 209' ' ' PRO . 14.9 t -109.33 -1.77 18.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.417 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 212' ' ' LEU . . . . . 0.736 ' O ' HG23 ' A' ' 213' ' ' THR . 0.5 OUTLIER -148.67 145.16 27.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . 0.736 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.7 p -160.95 50.54 0.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.436 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 214' ' ' THR . . . . . 0.756 ' C ' HD11 ' A' ' 190' ' ' ILE . 69.6 p -123.61 158.88 57.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.424 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 54.35 3.62 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -158.98 -54.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.142 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -74.05 -34.74 64.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 218' ' ' ILE . . . . . 0.717 HG12 HD13 ' A' ' 190' ' ' ILE . 0.7 OUTLIER -64.3 -41.54 92.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 219' ' ' ILE . . . . . 0.938 HG21 HG23 ' A' ' 165' ' ' VAL . 5.3 mt -74.67 -50.26 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -33.49 64.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.513 ' CE2' ' HA ' ' A' ' 208' ' ' ALA . 10.4 t80 -71.87 -49.4 38.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.487 HG22 ' HB3' ' A' ' 204' ' ' LEU . 12.8 t -60.29 -43.99 94.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.401 HD23 ' NE2' ' A' ' 226' ' ' GLN . 19.5 mt -63.68 -41.21 98.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.22 -35.48 80.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 225' ' ' ARG . . . . . 0.801 ' CG ' HD21 ' A' ' 204' ' ' LEU . 1.5 tpm_? -74.97 -38.82 61.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . 0.401 ' NE2' HD23 ' A' ' 223' ' ' LEU . 35.9 mt-30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.516 ' CB ' HD12 ' A' ' 18' ' ' LEU . 3.4 tp10 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -44.81 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -36.95 72.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.516 HD12 ' CB ' ' A' ' 15' ' ' GLU . 86.4 mt -70.19 -38.77 75.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.571 HG23 ' CD1' ' A' ' 56' ' ' LEU . 11.0 mt -69.74 -36.98 72.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.1 m -61.72 -50.06 73.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.406 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -64.45 -37.89 89.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.669 HD13 HD22 ' A' ' 43' ' ' LEU . 1.4 mt -66.39 -43.74 85.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.469 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -65.18 -32.2 73.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.806 ' O ' HG23 ' A' ' 28' ' ' THR . 0.2 OUTLIER -62.05 -46.04 90.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.497 HG22 ' CD ' ' A' ' 39' ' ' GLU . 1.3 m -59.55 -39.35 83.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.451 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.677 HG22 ' HA ' ' A' ' 36' ' ' THR . 2.7 t -59.33 -40.51 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -48.51 68.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.243 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.806 HG23 ' O ' ' A' ' 24' ' ' ASP . 22.0 p -67.48 -30.46 70.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.356 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.575 ' CG ' HG21 ' A' ' 35' ' ' ILE . 17.5 mmtt -84.75 -13.33 51.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.16 126.01 5.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.696 HD13 ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -66.88 -31.22 71.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.76 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.59 2.13 55.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.78 164.63 38.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.977 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 37' ' ' MET . 18.3 Cg_endo -74.95 -45.09 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.575 HG21 ' CG ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -41.44 -29.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.15 . . . . 0.0 109.337 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.677 ' HA ' HG22 ' A' ' 26' ' ' VAL . 19.4 m -60.39 -48.99 79.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.473 ' HE1' ' CD1' ' A' ' 140' ' ' PHE . 0.0 OUTLIER -63.22 -39.72 95.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.939 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.99 84.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.522 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 1.4 mt-10 -63.27 -47.04 84.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.449 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 34.5 t -61.74 -47.55 92.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 45' ' ' SER . 4.3 mt-10 -62.75 -24.55 67.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -65.17 -55.56 17.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.669 HD22 HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -72.26 -42.12 65.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.499 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 29.8 mtt -74.07 -10.12 59.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 44' ' ' MET . 6.1 m -34.41 -35.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.4 OUTLIER -109.12 165.85 11.89 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.058 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 147.08 33.35 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.531 1.806 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.656 ' H ' HD12 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -140.57 -173.73 3.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.623 HD21 ' HB2' ' A' ' 121' ' ' ALA . 0.2 OUTLIER -86.65 165.14 34.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -34.03 4.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.422 1.749 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.437 ' O ' ' OG1' ' A' ' 54' ' ' THR . 1.5 t-160 -67.62 -43.88 79.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.551 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -64.23 -32.47 74.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.64 HG23 HD13 ' A' ' 48' ' ' LEU . 2.1 t -59.39 -47.84 89.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.465 ' C ' ' HH ' ' A' ' 66' ' ' TYR . 19.1 p -67.43 -42.55 82.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.378 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -60.96 -42.62 98.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.654 HD21 ' CD1' ' A' ' 43' ' ' LEU . 15.4 tp -69.36 -50.1 49.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.835 ' O ' HD12 ' A' ' 61' ' ' LEU . 19.1 mmt -57.63 -30.91 65.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 35.6 ttt85 -69.53 -37.17 77.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.452 HG12 ' CB ' ' A' ' 23' ' ' ALA . 34.4 t -69.5 -47.34 72.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.469 HG12 ' CB ' ' A' ' 23' ' ' ALA . 97.6 mt -71.58 -43.17 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.835 HD12 ' O ' ' A' ' 57' ' ' MET . 0.2 OUTLIER -114.81 124.45 51.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.487 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -55.67 -173.1 0.13 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.457 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.4 Cg_endo -74.97 -19.46 17.89 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 111.04 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.958 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.46 -59.06 3.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.958 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.6 Cg_endo -74.96 4.76 4.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 58' ' ' ARG . 1.3 t80 -77.67 -48.88 15.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.89 -33.75 72.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.604 ' HB3' HG22 ' A' ' 143' ' ' VAL . 6.4 mp -69.28 -44.36 72.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.565 ' CZ2' ' HG3' ' A' ' 57' ' ' MET . 25.6 t90 -70.53 -35.46 73.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 107.991 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.0 mmt -64.36 -41.6 96.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -70.7 -42.28 70.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.99 -38.78 83.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.454 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 14.7 t90 -62.94 -41.52 99.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 107.994 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.25 -45.16 94.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.1 t -68.1 -47.09 80.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -56.21 -45.54 79.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.601 ' CD2' HD13 ' A' ' 106' ' ' LEU . 3.2 mt -60.62 -46.61 89.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -63.01 -30.62 71.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -66.84 -37.17 83.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.85 -47.05 89.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.938 HG13 HG23 ' A' ' 101' ' ' THR . 1.5 mp -66.27 -45.38 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.11 -36.77 80.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.505 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . . . -64.71 -49.45 70.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.504 ' HB2' ' CB ' ' A' ' 90' ' ' HIS . . . -63.26 -34.97 78.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.2 m -68.22 -40.56 82.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.7 mtt85 -72.26 -43.41 64.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.33 122.27 13.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.66 3.69 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -120.6 -5.6 9.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.505 ' CD2' ' HB3' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -73.03 130.73 84.53 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.612 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -74.99 -21.43 15.88 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.797 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.445 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -66.66 -10.46 46.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.455 ' O ' ' OD1' ' A' ' 93' ' ' ASN . 30.4 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.938 HG23 HG13 ' A' ' 81' ' ' ILE . 4.3 t -75.14 169.52 17.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.389 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -150.48 144.54 25.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.598 HD12 HD13 ' A' ' 81' ' ' ILE . 1.9 tp -59.98 -40.82 90.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.87 -45.17 95.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -41.2 97.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.601 HD13 ' CD2' ' A' ' 77' ' ' LEU . 7.2 mt -72.24 -19.48 61.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.34 -51.33 11.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.577 ' HA2' ' HE2' ' A' ' 113' ' ' MET . . . 110.69 27.56 4.31 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.595 ' HA ' HG22 ' A' ' 114' ' ' VAL . 2.7 tp -107.04 5.69 28.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.951 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -64.73 151.34 45.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.23 128.34 36.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.55 -16.64 60.84 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.56 1.163 . . . . 0.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.951 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 32.9 mtp -102.54 -23.74 13.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.595 HG22 ' HA ' ' A' ' 109' ' ' LEU . 2.6 t -72.1 122.23 24.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.79 2.51 75.32 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.438 1.086 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.464 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 18.5 m-20 -138.51 104.07 7.76 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -68.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -49.14 69.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.91 -35.76 84.54 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 0.0 OUTLIER -65.64 -44.15 87.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.623 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -65.51 -32.15 73.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.23 -15.97 59.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.456 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 0.2 OUTLIER -86.54 -28.23 23.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.626 HD21 ' CE ' ' A' ' 113' ' ' MET . 1.1 mt -92.36 120.92 33.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.98 156.98 0.42 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 108.9 2.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.439 1.757 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 152.02 -43.31 0.67 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.445 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 24.8 mt-10 -56.76 -34.35 67.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 110.332 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.7 mt -58.76 -44.11 90.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 8.7 t -59.64 -39.83 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -56.53 -37.25 70.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.464 ' CG1' HD22 ' A' ' 106' ' ' LEU . 45.0 mt -69.22 -42.0 81.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.432 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 4.1 m -62.75 -48.55 78.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.419 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.47 88.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -36.61 79.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.989 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.05 -43.28 92.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.499 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.3 OUTLIER -69.7 -33.73 72.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -69.15 -41.52 77.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.66 -33.16 73.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.473 ' CD1' ' HE1' ' A' ' 37' ' ' MET . 5.8 t80 -61.26 -65.42 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -52.96 -25.1 10.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.59 -34.09 75.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.604 HG22 ' HB3' ' A' ' 68' ' ' LEU . 4.1 t -77.99 -33.04 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -72.84 -45.99 55.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' PRO . . . . . 0.57 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 N-CA-C 111.007 -0.421 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' TRP . . . . . 0.691 ' CH2' HD11 ' A' ' 180' ' ' LEU . 38.3 p90 -92.83 -20.79 20.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 108.012 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -61.27 -32.61 72.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 109.247 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.66 -14.43 58.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.787 HG22 ' CE1' ' A' ' 167' ' ' PHE . 4.0 mt -92.84 120.72 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.604 ' C ' ' CZ ' ' A' ' 167' ' ' PHE . 2.7 m -129.44 137.63 50.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.363 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . 0.513 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 1.1 tm0? -77.73 127.14 31.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -122.38 160.35 16.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . 0.428 ' HB3' ' OE1' ' A' ' 198' ' ' GLN . 18.1 Cg_endo -75.05 -19.84 17.34 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 56.5 p -79.48 -16.66 55.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.06 136.67 52.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.432 ' CB ' ' HB2' ' A' ' 166' ' ' ASP . 0.3 OUTLIER -56.22 133.1 52.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.021 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.521 ' CE2' HG23 ' A' ' 219' ' ' ILE . 1.5 t80 -56.54 -52.59 64.19 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.867 HG23 HG21 ' A' ' 219' ' ' ILE . 0.5 OUTLIER -62.66 -37.53 79.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.432 ' HB2' ' CB ' ' A' ' 163' ' ' SER . 35.5 m-20 -62.92 -48.18 80.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.957 ' CE2' HD12 ' A' ' 171' ' ' LEU . 87.6 t80 -67.15 -37.71 84.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -57.83 -36.87 72.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -67.06 -47.28 71.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 32.3 mtp85 -61.74 -37.6 84.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.957 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.5 OUTLIER -70.22 -50.4 40.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.51 HG12 HD13 ' A' ' 189' ' ' ILE . 37.6 mt -57.93 -38.67 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.86 -36.61 83.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.474 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -68.84 -51.03 44.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 0.71 HG21 HG13 ' A' ' 189' ' ' ILE . 52.6 t -59.22 -48.03 88.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.98 -35.17 61.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -102.02 26.41 24.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 25.8 p -116.39 166.07 12.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.765 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -88.72 80.52 7.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.691 HD11 ' CH2' ' A' ' 153' ' ' TRP . 17.5 mt -123.6 154.08 66.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.625 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.2 Cg_endo -75.03 162.24 37.37 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 64.94 6.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.445 1.761 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 4.2 t -179.18 -37.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.625 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -80.97 -11.61 59.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 81.0 mtm180 -84.29 70.3 10.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.929 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 174.59 -57.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 187' ' ' PRO . . . . . 0.929 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.1 Cg_endo -74.97 -26.9 10.54 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.506 1.793 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 20.7 t -66.39 -38.44 81.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 189' ' ' ILE . . . . . 0.71 HG13 HG21 ' A' ' 175' ' ' VAL . 16.2 mt -68.21 -48.06 75.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 190' ' ' ILE . . . . . 0.706 HD11 ' C ' ' A' ' 214' ' ' THR . 53.3 mt -66.35 -35.86 75.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.93 -36.27 78.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 192' ' ' CYS . . . . . 0.406 ' HA ' ' HB2' ' A' ' 195' ' ' GLN . 34.9 m -62.83 -48.37 79.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 108.281 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 193' ' ' PHE . . . . . . . . . . . . . 9.0 m-30 -53.7 -50.72 65.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 194' ' ' ARG . . . . . 0.616 ' HB3' HG21 ' A' ' 205' ' ' ILE . 8.5 ptm180 -76.86 1.04 18.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . 0.406 ' HB2' ' HA ' ' A' ' 192' ' ' CYS . 1.1 tp60 -81.75 -40.92 21.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.254 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.55 78.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 197' ' ' SER . . . . . 0.606 ' O ' ' O ' ' A' ' 198' ' ' GLN . 25.4 p -145.15 92.16 2.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 110.043 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 198' ' ' GLN . . . . . 0.606 ' O ' ' O ' ' A' ' 197' ' ' SER . 0.5 OUTLIER 51.25 156.0 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -44.31 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.473 1.775 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -45.64 76.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.523 ' O ' HD12 ' A' ' 205' ' ' ILE . 12.7 mm -59.71 -29.84 43.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -49.19 32.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . 0.492 ' O ' ' CB ' ' A' ' 207' ' ' ALA . 1.1 mt-30 -66.37 -27.66 68.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . 0.711 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.4 OUTLIER -68.42 -49.26 61.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.616 HG21 ' HB3' ' A' ' 194' ' ' ARG . 1.2 mt -68.8 -48.78 69.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 206' ' ' ARG . . . . . 0.485 ' CD ' ' HA ' ' A' ' 203' ' ' GLN . 2.2 ptm180 -59.47 -33.44 71.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 207' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 203' ' ' GLN . . . -89.42 3.75 51.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 208' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -64.51 158.26 67.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 209' ' ' PRO . . . . . 0.652 ' HB2' HG22 ' A' ' 211' ' ' THR . 18.4 Cg_endo -75.0 153.71 41.98 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.512 1.796 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.19 14.15 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . 0.652 HG22 ' HB2' ' A' ' 209' ' ' PRO . 12.4 t -96.27 -5.9 39.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 212' ' ' LEU . . . . . 0.736 ' O ' HG23 ' A' ' 213' ' ' THR . 0.4 OUTLIER -148.54 145.4 27.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . 0.736 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.7 p -161.12 46.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 214' ' ' THR . . . . . 0.706 ' C ' HD11 ' A' ' 190' ' ' ILE . 56.0 p -120.45 158.3 51.61 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.46 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 54.65 3.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -160.87 -50.12 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -74.37 -36.73 63.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.757 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 218' ' ' ILE . . . . . 0.618 HG12 HD13 ' A' ' 190' ' ' ILE . 1.1 mp -63.7 -51.47 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 219' ' ' ILE . . . . . 0.867 HG21 HG23 ' A' ' 165' ' ' VAL . 3.5 mt -63.7 -45.87 96.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.69 -34.94 73.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.443 ' CE2' ' HA ' ' A' ' 208' ' ' ALA . 0.3 OUTLIER -74.02 -48.5 29.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.613 HG13 HD13 ' A' ' 204' ' ' LEU . 5.4 t -59.99 -45.56 95.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.514 HD11 ' CG2' ' A' ' 165' ' ' VAL . 33.1 mt -62.99 -35.77 81.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -67.97 -35.55 78.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 225' ' ' ARG . . . . . 0.711 ' HB3' HD11 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -74.62 -44.67 49.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.275 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.537 ' CG ' HD12 ' A' ' 18' ' ' LEU . 1.7 pt-20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -37.83 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -58.43 -49.74 76.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.537 HD12 ' CG ' ' A' ' 15' ' ' GLU . 97.0 mt -69.92 -45.48 67.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.93 ' CD1' HD12 ' A' ' 56' ' ' LEU . 39.4 mt -58.18 -36.64 58.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.2 m -66.79 -41.7 87.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 110.333 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 mtp85 -67.5 -48.95 65.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -44.57 89.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.422 ' HB2' HG12 ' A' ' 60' ' ' ILE . . . -61.76 -31.6 71.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.897 ' O ' HG23 ' A' ' 28' ' ' THR . 4.9 t70 -61.52 -42.78 99.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.409 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -63.04 -37.59 87.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.378 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.812 HG22 ' HA ' ' A' ' 36' ' ' THR . 1.7 t -56.49 -49.35 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -48.41 81.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.897 HG23 ' O ' ' A' ' 24' ' ' ASP . 50.3 p -60.47 -34.76 74.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.383 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.556 ' CG ' HG21 ' A' ' 35' ' ' ILE . 16.5 mmtt -82.39 -14.5 55.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.1 130.02 6.9 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.415 HD13 HG21 ' A' ' 36' ' ' THR . 0.2 OUTLIER -67.24 -29.47 69.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.411 ' CG ' ' O ' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -90.59 2.52 55.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.62 164.09 41.49 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.004 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' MET . 18.2 Cg_endo -75.03 -45.97 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.556 HG21 ' CG ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -41.04 -29.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.812 ' HA ' HG22 ' A' ' 26' ' ' VAL . 39.4 m -61.41 -49.45 76.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.374 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -64.26 -42.01 96.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.46 -51.7 66.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -59.86 -47.22 86.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.475 HG21 ' CE2' ' A' ' 140' ' ' PHE . 6.4 t -59.63 -39.66 80.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 45' ' ' SER . 0.6 OUTLIER -71.25 -24.62 62.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -61.7 -54.46 42.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.998 HD13 HD11 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -71.21 -48.02 53.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.49 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 18.2 mtt -67.96 -10.7 55.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' GLU . 78.7 p -37.65 -31.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.014 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.5 OUTLIER -110.74 165.02 13.48 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.0 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 149.94 37.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.532 1.806 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.835 HD13 HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -150.85 173.96 13.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.9 OUTLIER -78.87 165.09 51.66 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -30.4 7.25 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.451 ' O ' ' OG1' ' A' ' 54' ' ' THR . 27.9 t60 -65.93 -47.89 73.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.576 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -64.81 -31.16 72.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.835 HG23 HD13 ' A' ' 48' ' ' LEU . 3.5 t -59.51 -47.66 90.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.531 HG22 ' CE ' ' A' ' 70' ' ' MET . 4.6 p -66.4 -41.49 89.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.401 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.537 ' O ' HG23 ' A' ' 59' ' ' VAL . 2.9 t30 -68.02 -35.08 77.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.998 HD11 HD13 ' A' ' 43' ' ' LEU . 1.1 tt -70.37 -53.55 16.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.639 ' HG3' HD21 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -61.17 -41.53 96.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 111.004 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 61' ' ' LEU . 1.9 ttt180 -55.57 -36.93 67.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.579 HG11 HG22 ' A' ' 19' ' ' ILE . 39.9 t -69.41 -34.23 61.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.622 ' HB ' HD23 ' A' ' 61' ' ' LEU . 7.2 mt -77.57 -43.89 29.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.641 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -119.79 126.94 52.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.469 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -53.28 -170.1 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.4 ' O ' ' HB3' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.04 -19.07 18.12 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.517 1.799 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.946 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -70.17 -59.68 4.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.097 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.946 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.99 1.81 7.32 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.509 1.794 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.57 ' CE1' ' SD ' ' A' ' 70' ' ' MET . 39.0 t80 -71.72 -47.65 52.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.78 75.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.727 ' HB3' HG22 ' A' ' 143' ' ' VAL . 6.2 mp -65.68 -45.03 84.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.551 ' CZ2' ' SD ' ' A' ' 57' ' ' MET . 71.0 t90 -69.33 -36.79 77.3 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.57 ' SD ' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -64.44 -44.75 90.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -65.54 -42.46 91.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' A' ' 139' ' ' ALA . . . -69.57 -36.64 76.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.519 ' CZ3' ' CG2' ' A' ' 54' ' ' THR . 14.7 t90 -66.65 -37.33 84.58 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.406 ' O ' ' NE2' ' A' ' 78' ' ' GLN . . . -60.97 -42.4 99.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.03 -47.17 79.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.786 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.455 ' OE1' ' CB ' ' A' ' 138' ' ' GLN . 45.0 mm-40 -57.94 -43.8 86.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.745 ' CD2' HD13 ' A' ' 106' ' ' LEU . 1.3 mt -64.2 -45.43 88.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.409 ' HA ' HD13 ' A' ' 103' ' ' LEU . 39.0 mt-30 -61.22 -31.71 71.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 76' ' ' GLN . 1.3 m -63.64 -38.47 91.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.386 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.75 -34.82 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.497 ' CG1' HD12 ' A' ' 103' ' ' LEU . 29.5 mm -71.81 -50.12 40.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.91 -47.08 86.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.56 -48.38 77.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.412 ' HB3' HG21 ' A' ' 101' ' ' THR . . . -61.45 -47.85 83.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 m -58.88 -31.2 68.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -74.96 -43.12 55.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -121.26 114.6 31.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 54.38 3.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -142.53 14.66 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.447 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -85.08 140.31 36.97 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.626 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -21.39 15.85 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.473 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -63.47 -22.19 66.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.481 ' CA ' ' HB ' ' A' ' 101' ' ' THR . 15.5 p30 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.481 ' HB ' ' CA ' ' A' ' 93' ' ' ASN . 9.0 t -74.33 147.89 41.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.54 147.62 52.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.509 HD11 ' HB3' ' A' ' 77' ' ' LEU . 5.5 tp -64.41 -45.77 86.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.469 ' HA ' ' CG ' ' A' ' 107' ' ' LYS . 56.6 t0 -57.58 -37.85 73.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.19 -35.18 59.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.745 HD13 ' CD2' ' A' ' 77' ' ' LEU . 46.9 mt -86.05 -29.97 23.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.469 ' CG ' ' HA ' ' A' ' 104' ' ' ASP . 11.9 mmtt -47.18 -44.42 22.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 103.71 4.86 45.61 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.72 4.74 53.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.787 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.444 ' HB3' ' CE ' ' A' ' 113' ' ' MET . . . -58.81 132.11 52.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.86 135.13 7.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.09 -18.86 37.9 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.529 ' SD ' HD21 ' A' ' 124' ' ' LEU . 5.1 mtt -102.4 -2.4 28.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 0.798 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 1.7 t -93.57 122.18 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 78.43 2.13 83.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -123.19 107.1 32.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.321 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -77.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -53.95 -35.38 61.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -66.85 -39.41 93.43 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.532 ' CG ' HD11 ' A' ' 124' ' ' LEU . 29.8 tt0 -64.64 -43.77 92.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.754 . . . . 0.0 110.324 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.78 -33.83 76.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.21 -24.96 51.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.523 HD13 ' CG ' ' A' ' 113' ' ' MET . 0.2 OUTLIER -79.03 -31.49 44.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.532 HD11 ' CG ' ' A' ' 120' ' ' GLN . 1.5 mt -86.78 177.71 7.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.444 ' NH1' ' HB2' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -109.1 156.84 38.51 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.304 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 108.84 2.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.559 1.821 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.99 -36.6 1.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.473 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 6.7 mt-10 -67.07 -31.88 72.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.536 ' HA ' HD12 ' A' ' 132' ' ' ILE . 3.5 mt -60.09 -49.04 79.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.54 -39.45 81.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.22 -44.44 88.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 129' ' ' LEU . 5.9 mt -68.63 -38.83 79.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.488 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 62.5 m -63.51 -43.88 95.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.96 -47.93 67.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.4 m -58.77 -33.86 70.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.958 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.42 -43.12 91.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.49 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -65.4 -36.77 84.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.455 ' CB ' ' OE1' ' A' ' 76' ' ' GLN . 6.1 mm-40 -64.3 -43.62 94.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.41 ' HA ' ' HB1' ' A' ' 72' ' ' ALA . . . -67.62 -32.28 72.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.475 ' CE2' HG21 ' A' ' 40' ' ' VAL . 2.4 t80 -61.97 -49.06 77.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.943 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -31.38 71.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -61.8 -41.86 98.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.727 HG22 ' HB3' ' A' ' 68' ' ' LEU . 77.8 t -77.87 -43.21 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.411 ' O ' ' CG ' ' A' ' 32' ' ' ARG . . . -55.19 -49.99 70.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 155' ' ' ASP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.033 -0.41 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' TRP . . . . . 0.82 ' HA ' HD12 ' A' ' 156' ' ' ILE . 18.5 p90 -51.75 -30.97 24.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 108.02 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.19 -31.88 73.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 152' ' ' PRO . 32.1 t70 -79.25 -22.07 45.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.82 HD12 ' HA ' ' A' ' 153' ' ' TRP . 9.5 mt -83.55 120.68 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.57 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 64.8 p -131.25 144.7 51.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . 0.561 ' HG2' ' CD2' ' A' ' 167' ' ' PHE . 0.0 OUTLIER -79.46 122.55 26.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 110.313 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . 0.454 ' N ' ' OE1' ' A' ' 158' ' ' GLN . . . -111.46 163.36 12.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.42 15.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.88 -30.25 35.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.011 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -102.78 135.59 44.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.4 t -57.25 132.85 54.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.086 . . . . 0.0 110.01 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.572 ' CE2' HG23 ' A' ' 219' ' ' ILE . 1.7 t80 -56.79 -52.46 64.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.866 HG23 HG21 ' A' ' 219' ' ' ILE . 0.3 OUTLIER -59.73 -48.2 88.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.484 ' N ' ' CG1' ' A' ' 165' ' ' VAL . 2.0 t0 -56.56 -44.65 81.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.762 ' CZ ' HD12 ' A' ' 171' ' ' LEU . 1.1 t80 -65.86 -38.99 90.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -56.82 -33.74 67.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -69.29 -49.56 54.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.419 ' NH2' ' HD2' ' A' ' 173' ' ' LYS . 3.3 mmp_? -60.59 -37.09 80.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.276 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.762 HD12 ' CZ ' ' A' ' 167' ' ' PHE . 5.2 tt -72.36 -49.08 36.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.554 HG12 HD13 ' A' ' 189' ' ' ILE . 55.1 mt -56.48 -46.7 82.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' LYS . . . . . 0.419 ' HD2' ' NH2' ' A' ' 170' ' ' ARG . 0.2 OUTLIER -60.18 -39.93 88.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.603 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -63.24 -44.92 93.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 0.694 HG11 ' HB3' ' A' ' 185' ' ' ARG . 22.6 t -65.47 -38.49 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -36.78 58.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -106.16 24.51 26.17 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 4.2 p -108.74 166.45 10.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 0.76 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -78.88 66.48 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.646 HD11 HG11 ' A' ' 188' ' ' VAL . 7.7 mt -131.33 140.97 40.13 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.2 Cg_endo -75.03 157.58 42.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' PRO . . . . . 0.517 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.3 Cg_endo -74.96 82.02 2.08 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.6 OUTLIER 157.89 -31.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.71 ' O ' HG23 ' A' ' 188' ' ' VAL . . . -84.81 -18.92 33.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . 0.694 ' HB3' HG11 ' A' ' 175' ' ' VAL . 58.6 mtm180 -75.29 -21.56 58.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.959 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . -64.01 -58.4 14.69 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 187' ' ' PRO . . . . . 0.959 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.1 Cg_endo -75.04 -37.55 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.78 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 184' ' ' ALA . 21.9 t -57.16 -39.86 69.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 189' ' ' ILE . . . . . 0.679 HD12 ' O ' ' A' ' 185' ' ' ARG . 50.3 mt -68.04 -48.33 74.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 190' ' ' ILE . . . . . 0.553 HD11 ' C ' ' A' ' 214' ' ' THR . 65.2 mt -63.0 -42.29 96.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 191' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 195' ' ' GLN . 0.6 OUTLIER -59.12 -40.46 85.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 192' ' ' CYS . . . . . 0.553 ' HB3' HD11 ' A' ' 171' ' ' LEU . 83.0 m -53.61 -45.94 70.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 108.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 193' ' ' PHE . . . . . 0.47 ' CD1' ' N ' ' A' ' 193' ' ' PHE . 6.4 m-30 -62.1 -30.64 71.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 194' ' ' ARG . . . . . 0.604 ' HB3' HG21 ' A' ' 205' ' ' ILE . 0.1 OUTLIER -113.35 29.97 7.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 191' ' ' ASP . 4.0 mt-30 -119.76 -40.21 2.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.337 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 196' ' ' LYS . . . . . 0.528 ' HG3' HG22 ' A' ' 157' ' ' THR . 0.1 OUTLIER -149.34 63.07 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 197' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 198' ' ' GLN . 2.0 m -146.11 157.87 43.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.967 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 198' ' ' GLN . . . . . 0.426 ' O ' ' O ' ' A' ' 197' ' ' SER . 0.1 OUTLIER -39.29 160.28 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 199' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 198' ' ' GLN . 18.2 Cg_endo -75.02 -32.05 5.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -57.93 -43.78 86.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 41.7 mm -74.9 -45.46 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -60.19 -38.66 83.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -65.57 -34.46 78.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . 0.669 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.3 OUTLIER -70.31 -48.94 54.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.604 HG21 ' HB3' ' A' ' 194' ' ' ARG . 0.5 OUTLIER -63.81 -40.02 87.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -64.17 -34.35 77.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -89.49 3.98 50.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 208' ' ' ALA . . . . . 0.523 ' HA ' ' CE2' ' A' ' 221' ' ' TYR . . . -61.33 154.17 64.6 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 209' ' ' PRO . . . . . 0.493 ' HD2' HD11 ' A' ' 212' ' ' LEU . 18.4 Cg_endo -74.96 154.67 42.86 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.485 1.781 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.26 11.11 15.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 17.7 m -94.26 -14.6 25.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 212' ' ' LEU . . . . . 0.7 ' O ' HG23 ' A' ' 213' ' ' THR . 0.2 OUTLIER -135.86 142.45 44.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.6 p -160.19 46.76 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.386 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 214' ' ' THR . . . . . 0.553 ' C ' HD11 ' A' ' 190' ' ' ILE . 38.1 p -126.54 159.23 64.45 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.397 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.83 3.77 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.549 1.815 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -156.41 -57.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -74.5 -30.4 61.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.244 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 218' ' ' ILE . . . . . 0.511 HG12 HD13 ' A' ' 190' ' ' ILE . 0.7 OUTLIER -63.14 -45.57 98.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 219' ' ' ILE . . . . . 0.866 HG21 HG23 ' A' ' 165' ' ' VAL . 3.4 mt -73.03 -45.68 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -57.23 -36.32 70.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.523 ' CE2' ' HA ' ' A' ' 208' ' ' ALA . 0.8 OUTLIER -71.55 -45.72 61.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.48 HG13 HD13 ' A' ' 204' ' ' LEU . 12.6 t -60.61 -48.7 87.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.593 HD11 ' CG2' ' A' ' 165' ' ' VAL . 83.9 mt -61.93 -37.87 86.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -66.98 -31.91 72.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 225' ' ' ARG . . . . . 0.669 ' HB3' HD11 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -77.57 -40.94 40.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.496 ' HB2' HD12 ' A' ' 18' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 15' ' ' GLU . 18.2 Cg_endo -75.06 -34.43 3.78 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.781 . . . . 0.0 110.97 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.06 -43.79 77.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.496 HD12 ' HB2' ' A' ' 15' ' ' GLU . 39.5 mt -68.69 -41.45 79.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.736 HG21 HD12 ' A' ' 56' ' ' LEU . 23.1 mt -59.86 -37.49 72.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.2 m -66.54 -39.03 88.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 0.0 110.372 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -64.64 -48.46 74.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 110.372 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.45 HD22 ' HG3' ' A' ' 39' ' ' GLU . 3.0 mt -66.46 -41.78 88.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.422 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -59.92 -36.66 77.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.89 -42.2 99.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.501 HG23 ' HG3' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -59.33 -37.46 77.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.414 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.967 HG13 ' OG1' ' A' ' 36' ' ' THR . 13.7 t -61.79 -43.81 97.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -48.3 80.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.7 p -71.11 -30.74 66.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.376 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.788 ' CB ' HG21 ' A' ' 35' ' ' ILE . 17.8 mmtt -82.57 -14.62 54.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 95.83 122.29 3.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.795 HD12 HG12 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -67.7 -27.95 67.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.5 ttt-85 -94.22 1.92 55.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 m -88.76 156.7 49.82 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.953 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 49.41 2.25 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.468 1.773 . . . . 0.0 111.019 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.788 HG21 ' CB ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -131.36 -34.88 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.967 ' OG1' HG13 ' A' ' 26' ' ' VAL . 22.7 m -57.37 -42.6 82.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.396 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.474 ' CE ' ' HG3' ' A' ' 141' ' ' ARG . 0.3 OUTLIER -65.0 -41.19 95.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.65 -53.1 30.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.573 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -59.74 -47.29 86.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 36' ' ' THR . 44.8 t -60.15 -48.52 87.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 45' ' ' SER . 8.0 mt-10 -62.37 -24.41 67.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.346 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -64.45 -55.68 19.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.939 HD11 HD21 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -72.8 -41.3 65.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.519 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 30.8 mtt -73.64 -10.98 60.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 41' ' ' GLU . 8.5 t -38.24 -30.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.985 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -110.95 166.55 10.55 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.955 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 147.12 33.36 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.5 1.789 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.539 HD13 HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -146.99 165.11 30.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.855 HD21 ' HB2' ' A' ' 121' ' ' ALA . 2.5 mm? -67.92 163.13 53.0 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.445 ' O ' HG23 ' A' ' 54' ' ' THR . 18.3 Cg_endo -75.03 -34.08 4.06 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.496 1.787 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -67.99 -40.58 83.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.571 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.416 ' HA ' ' OD1' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -63.9 -33.1 74.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 49' ' ' LEU . 54.7 t -58.29 -45.56 89.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 50' ' ' PRO . 30.7 p -66.57 -44.99 80.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.372 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.474 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -63.85 -35.33 80.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.939 HD21 HD11 ' A' ' 43' ' ' LEU . 3.1 tp -71.57 -52.29 18.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.544 ' HG2' ' CD1' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -58.25 -44.63 88.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' A' ' 61' ' ' LEU . 21.8 ttt180 -57.0 -36.45 70.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 55' ' ' ASN . 21.9 t -70.66 -35.09 59.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.534 ' HB ' HD23 ' A' ' 61' ' ' LEU . 5.1 mt -77.16 -43.58 31.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.592 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -123.54 133.59 53.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.46 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -50.1 -176.69 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.416 ' O ' ' HB3' ' A' ' 66' ' ' TYR . 18.4 Cg_endo -75.0 -18.13 18.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.953 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.42 -59.76 3.01 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.953 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.0 0.5 8.83 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.444 1.76 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.422 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 27.2 t80 -75.16 -44.86 44.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.46 -29.84 68.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.734 ' HB3' HG22 ' A' ' 143' ' ' VAL . 6.9 mp -68.56 -44.38 74.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.544 ' CD1' ' HG2' ' A' ' 57' ' ' MET . 16.1 t90 -70.57 -39.84 73.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.044 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.407 ' HE1' HG22 ' A' ' 54' ' ' THR . 2.0 mmt -60.7 -41.23 94.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -70.65 -44.8 66.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.72 -30.34 69.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.512 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 19.6 t90 -66.77 -37.28 84.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 108.018 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.34 -41.8 98.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.4 t -68.08 -46.86 80.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.453 ' CG ' ' HB3' ' A' ' 138' ' ' GLN . 1.7 mp0 -59.21 -46.54 88.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.793 ' CD2' HD13 ' A' ' 106' ' ' LEU . 2.8 mt -58.54 -44.05 89.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.405 ' N ' HD11 ' A' ' 103' ' ' LEU . 27.9 mt-30 -58.21 -37.07 74.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 76' ' ' GLN . 0.8 OUTLIER -60.48 -35.53 76.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.415 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.1 t -71.16 -37.94 68.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.694 HD11 HD12 ' A' ' 106' ' ' LEU . 6.3 mm -63.84 -49.39 82.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.45 -43.24 81.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.84 -46.47 81.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.57 -35.02 79.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.8 m -66.56 -41.83 88.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.7 mtt85 -69.02 -41.09 78.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -116.08 106.66 49.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 54.28 3.6 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.464 1.771 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -148.04 18.24 1.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 0.2 OUTLIER -83.42 137.11 42.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.588 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.4 Cg_endo -74.96 -22.96 14.35 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.79 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.84 -15.79 45.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.454 ' CA ' ' HB ' ' A' ' 101' ' ' THR . 15.0 p30 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.454 ' HB ' ' CA ' ' A' ' 93' ' ' ASN . 3.5 t -75.38 166.33 23.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -146.31 142.76 28.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.469 ' CD1' HG12 ' A' ' 81' ' ' ILE . 3.6 tp -56.86 -40.86 76.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -63.22 -42.93 99.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -55.07 -45.81 75.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.793 HD13 ' CD2' ' A' ' 77' ' ' LEU . 55.6 mt -70.28 -16.09 62.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.88 -14.64 41.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.37 33.68 8.52 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.516 ' HA ' HG22 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -97.87 6.62 47.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.657 ' HB3' ' HB2' ' A' ' 113' ' ' MET . . . -58.48 138.17 56.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -56.93 123.26 14.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.07 -14.06 54.79 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.657 ' HB2' ' HB3' ' A' ' 110' ' ' ALA . 15.3 mtt -92.76 -21.5 19.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.79 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.516 HG22 ' HA ' ' A' ' 109' ' ' LEU . 1.7 t -78.22 126.08 38.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.05 -6.67 76.33 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.464 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 4.0 t30 -134.75 107.94 10.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.762 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -61.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 111.016 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -54.4 -50.23 68.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -61.79 -37.39 94.23 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.48 1.112 . . . . 0.0 111.034 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 20.8 tt0 -63.9 -44.48 92.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 0.73 . . . . 0.0 110.241 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.855 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -66.53 -31.57 72.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.33 -21.79 55.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.581 HD13 ' HG3' ' A' ' 113' ' ' MET . 0.6 OUTLIER -80.83 -27.57 36.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.535 HD11 HD21 ' A' ' 129' ' ' LEU . 2.0 pp -113.29 118.84 35.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.79 165.14 0.23 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 108.9 2.82 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.555 1.819 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.76 -51.29 0.28 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.475 ' HG3' ' CD2' ' A' ' 106' ' ' LEU . 1.1 tt0 -57.1 -33.18 67.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 0.742 . . . . 0.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.535 HD21 HD11 ' A' ' 124' ' ' LEU . 0.5 OUTLIER -64.99 -38.51 91.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.07 -39.87 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.57 94.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.485 ' CG1' HD22 ' A' ' 106' ' ' LEU . 31.6 mt -69.14 -38.56 78.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.358 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.472 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 87.6 m -65.84 -49.02 69.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.74 91.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 85.4 p -61.78 -33.93 74.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.52 -37.3 86.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.519 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -67.32 -40.07 85.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.453 ' HB3' ' CG ' ' A' ' 76' ' ' GLN . 0.3 OUTLIER -63.64 -40.05 95.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 110.285 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.56 -32.95 74.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.885 ' CE1' HG21 ' A' ' 36' ' ' THR . 1.5 t80 -64.87 -57.07 9.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.474 ' HG3' ' CE ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -53.79 -27.59 30.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -68.17 -39.05 82.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.734 HG22 ' HB3' ' A' ' 68' ' ' LEU . 41.0 t -80.65 -41.52 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.9 -47.76 73.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.252 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 110.265 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' PRO . . . . . 0.405 ' O ' ' N ' ' A' ' 155' ' ' ASP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' TRP . . . . . 0.844 ' HA ' HD12 ' A' ' 156' ' ' ILE . 1.1 p90 -51.18 -33.04 25.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 108.021 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.71 -33.49 75.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 152' ' ' PRO . 89.3 m-20 -80.94 -20.78 41.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.844 HD12 ' HA ' ' A' ' 153' ' ' TRP . 31.1 mt -82.03 121.15 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.91 HG22 ' HD2' ' A' ' 196' ' ' LYS . 24.1 p -124.24 136.79 54.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . 0.583 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 16.9 tp60 -75.24 112.93 12.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -114.17 162.6 12.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -26.19 11.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 80.7 p -71.69 -31.6 66.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.028 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -98.57 136.2 39.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.72 147.12 23.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -66.34 -52.09 50.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.869 HG22 ' CG2' ' A' ' 219' ' ' ILE . 1.4 t -65.74 -46.95 87.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -55.69 -47.56 76.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.73 ' CE1' HG22 ' A' ' 156' ' ' ILE . 64.9 t80 -69.26 -26.54 64.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -66.25 -50.07 65.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -57.38 -41.96 81.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -61.17 -37.13 81.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.685 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.2 OUTLIER -72.45 -48.84 37.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.431 HG12 HD13 ' A' ' 189' ' ' ILE . 16.2 mt -57.62 -38.58 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -66.28 -37.67 85.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.438 ' HB2' HD11 ' A' ' 156' ' ' ILE . . . -67.16 -52.9 35.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 0.533 HG13 HD12 ' A' ' 180' ' ' LEU . 54.5 t -58.73 -46.07 90.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -52.53 -33.21 44.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -108.83 26.37 15.98 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . 0.418 ' HG ' HD12 ' A' ' 180' ' ' LEU . 10.0 p -112.66 166.19 11.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 0.799 . . . . 0.0 110.016 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -92.15 83.25 5.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.662 HD11 ' CZ3' ' A' ' 153' ' ' TRP . 22.2 mt -126.71 154.9 75.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.535 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.4 Cg_endo -74.99 163.27 35.7 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.476 1.777 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.2 Cg_endo -75.01 81.92 2.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.459 1.768 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.4 OUTLIER 159.18 -26.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.535 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -84.08 -11.3 56.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . 0.513 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 20.3 mtm180 -84.11 71.3 10.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.92 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 174.3 -56.95 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 187' ' ' PRO . . . . . 0.92 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -75.01 -26.75 10.6 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.781 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 7.9 t -69.89 -41.08 79.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 189' ' ' ILE . . . . . 0.658 HD12 ' HG3' ' A' ' 215' ' ' PRO . 50.5 mt -68.1 -48.28 74.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 190' ' ' ILE . . . . . 0.833 HD11 ' C ' ' A' ' 214' ' ' THR . 77.1 mt -63.1 -40.11 87.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 191' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 195' ' ' GLN . 9.2 t0 -62.2 -38.95 91.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 192' ' ' CYS . . . . . 0.429 ' SG ' HD21 ' A' ' 171' ' ' LEU . 65.2 m -54.1 -44.18 71.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 108.352 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 193' ' ' PHE . . . . . 0.501 ' CD2' ' HA ' ' A' ' 190' ' ' ILE . 18.0 m-30 -60.02 -38.38 82.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 194' ' ' ARG . . . . . 0.479 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 0.0 OUTLIER -106.1 27.68 8.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 191' ' ' ASP . 1.0 OUTLIER -113.98 -39.09 4.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.235 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 196' ' ' LYS . . . . . 0.91 ' HD2' HG22 ' A' ' 157' ' ' THR . 0.0 OUTLIER -151.35 63.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.35 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 197' ' ' SER . . . . . 0.478 ' HB2' ' CG ' ' A' ' 158' ' ' GLN . 0.4 OUTLIER -148.64 164.54 34.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 198' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 197' ' ' SER . 0.0 OUTLIER -40.95 163.7 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 199' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 203' ' ' GLN . 18.2 Cg_endo -75.04 -32.34 5.41 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.801 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -63.86 -46.39 85.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 19.1 mm -69.51 -45.8 77.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -64.07 -42.4 96.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 199' ' ' PRO . 6.0 tp60 -64.17 -30.36 71.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . 0.857 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.2 OUTLIER -70.66 -49.8 43.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.479 ' CG2' ' HB3' ' A' ' 194' ' ' ARG . 0.7 OUTLIER -63.86 -44.04 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.92 -33.8 76.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -92.54 5.59 50.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 208' ' ' ALA . . . . . 0.524 ' HA ' ' CZ ' ' A' ' 221' ' ' TYR . . . -60.42 160.47 17.97 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.24 33.6 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.65 8.28 14.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.015 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 3.8 t -92.06 -5.26 53.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.437 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 212' ' ' LEU . . . . . 0.747 ' O ' HG23 ' A' ' 213' ' ' THR . 2.5 pp -155.07 151.64 28.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . 0.747 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.6 p -161.22 49.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 214' ' ' THR . . . . . 0.833 ' C ' HD11 ' A' ' 190' ' ' ILE . 33.4 p -114.59 156.91 44.08 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 215' ' ' PRO . . . . . 0.658 ' HG3' HD12 ' A' ' 189' ' ' ILE . 18.4 Cg_endo -74.98 10.98 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.48 1.779 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 216' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 214' ' ' THR . . . -116.03 -51.07 0.41 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 217' ' ' GLU . . . . . 0.431 ' OE1' ' CB ' ' A' ' 212' ' ' LEU . 12.4 mt-10 -64.56 -48.7 74.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 218' ' ' ILE . . . . . 0.615 HD12 HD13 ' A' ' 212' ' ' LEU . 1.5 mp -54.09 -32.8 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 219' ' ' ILE . . . . . 0.869 ' CG2' HG22 ' A' ' 165' ' ' VAL . 3.7 mm -62.2 -52.85 55.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.083 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -45.3 89.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.744 ' CZ ' HD23 ' A' ' 204' ' ' LEU . 2.3 t80 -56.09 -51.03 69.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.526 ' HA ' HD22 ' A' ' 204' ' ' LEU . 2.4 t -59.87 -51.61 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.865 HD11 HG21 ' A' ' 165' ' ' VAL . 91.9 mt -56.71 -35.76 68.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -65.98 -47.26 75.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 225' ' ' ARG . . . . . 0.857 ' HB3' HD11 ' A' ' 204' ' ' LEU . 0.6 OUTLIER -65.62 -32.58 74.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.333 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . 0.423 ' NE2' HD23 ' A' ' 223' ' ' LEU . 60.3 mt-30 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.456 ' O ' ' CG1' ' A' ' 19' ' ' ILE . 10.6 tp10 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -42.12 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.553 1.818 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -48.23 80.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.2 mt -68.6 -46.34 69.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.891 HG21 HD12 ' A' ' 56' ' ' LEU . 46.5 mt -58.28 -38.44 68.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 m -61.3 -40.83 95.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.433 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -66.43 -48.49 69.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.603 HD21 ' HG2' ' A' ' 39' ' ' GLU . 3.5 tt -61.09 -43.65 98.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.82 -32.41 70.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.946 ' O ' HG23 ' A' ' 28' ' ' THR . 0.5 OUTLIER -62.3 -40.35 95.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.517 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -62.69 -38.26 89.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.812 HG13 ' OG1' ' A' ' 36' ' ' THR . 15.2 t -58.81 -46.53 90.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -64.73 -48.34 74.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.248 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.946 HG23 ' O ' ' A' ' 24' ' ' ASP . 52.5 p -61.38 -37.82 84.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.381 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 25' ' ' THR . 7.3 mmmt -82.57 -12.69 57.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.57 124.96 4.79 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.757 HD12 HG12 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -67.44 -21.98 65.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 0.73 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 mtp85 -89.32 0.36 56.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.69 161.17 45.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.98 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -11.04 21.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.487 1.782 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.403 HD12 ' HE3' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -69.53 -29.1 40.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.812 ' OG1' HG13 ' A' ' 26' ' ' VAL . 18.1 m -61.55 -49.14 77.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.33 -34.41 78.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.44 -52.54 25.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.603 ' HG2' HD21 ' A' ' 22' ' ' LEU . 3.6 mt-10 -61.4 -45.62 93.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.343 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 36' ' ' THR . 63.0 t -59.55 -47.67 90.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.498 ' HG3' HD22 ' A' ' 137' ' ' LEU . 9.7 mt-10 -63.25 -23.28 67.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -64.42 -55.49 20.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 1.065 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -72.84 -46.88 50.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.508 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 24.2 mtt -70.76 -10.71 60.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' GLU . 5.4 t -35.93 -34.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.4 OUTLIER -108.92 165.92 11.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.956 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 149.63 37.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.806 . . . . 0.0 111.029 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.825 HD13 HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -146.55 -179.9 7.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.879 HD21 ' HB2' ' A' ' 121' ' ' ALA . 1.5 mm? -80.67 165.44 45.75 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.419 ' HD3' HD13 ' A' ' 49' ' ' LEU . 18.1 Cg_endo -75.04 -35.87 2.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.464 1.771 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.443 ' O ' ' OG1' ' A' ' 54' ' ' THR . 1.3 t-160 -67.96 -40.96 83.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.608 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 0.6 OUTLIER -64.88 -32.38 74.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.825 HG23 HD13 ' A' ' 48' ' ' LEU . 2.7 t -58.56 -46.72 89.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 51' ' ' HIS . 77.4 p -67.32 -42.7 83.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.402 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.482 ' ND2' ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -63.54 -40.17 96.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.065 HD21 ' CD1' ' A' ' 43' ' ' LEU . 7.3 tp -68.37 -51.51 43.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.521 ' HG2' ' CE2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -57.78 -44.09 86.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -55.04 -36.44 65.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.336 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 55' ' ' ASN . 35.6 t -68.89 -33.76 60.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.415 1.072 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.625 ' HB ' HD23 ' A' ' 61' ' ' LEU . 2.9 mt -79.82 -43.95 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.625 HD23 ' HB ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -120.94 131.15 54.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.518 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -54.1 -166.94 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -24.16 13.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.908 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -69.0 -57.69 7.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.908 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -74.98 2.84 6.17 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.545 1.813 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.43 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 54.8 t80 -72.72 -46.4 53.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.91 -29.19 69.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.578 HD23 HG13 ' A' ' 143' ' ' VAL . 3.7 mp -63.55 -48.87 75.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.793 ' CH2' ' CE3' ' A' ' 73' ' ' TRP . 36.3 t90 -69.75 -39.22 76.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 107.981 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.436 ' HE1' ' HB ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -59.37 -45.03 92.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.36 -46.72 79.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.01 -28.57 67.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.793 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 16.8 t90 -71.6 -40.22 69.98 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.3 -48.1 87.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.4 t -68.11 -47.16 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.451 ' OE1' ' CB ' ' A' ' 138' ' ' GLN . 48.9 mm-40 -54.85 -44.46 73.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.585 ' HB3' HD11 ' A' ' 103' ' ' LEU . 2.7 mt -59.76 -45.76 91.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.445 ' HA ' HD13 ' A' ' 103' ' ' LEU . 24.4 mt-30 -60.09 -34.2 73.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 76' ' ' GLN . 0.9 OUTLIER -61.73 -35.67 78.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.409 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.453 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 2.2 t -71.06 -34.33 54.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.536 ' CD1' ' CG2' ' A' ' 101' ' ' THR . 18.6 mm -68.18 -47.95 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.77 -50.94 54.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.71 -40.67 76.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.504 ' HA ' ' CD2' ' A' ' 90' ' ' HIS . . . -62.66 -35.84 80.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.54 -38.45 65.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.375 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.59 -29.3 62.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -118.7 107.0 43.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 54.51 3.68 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.464 1.771 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -156.58 24.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.504 ' CD2' ' HA ' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -89.28 139.04 28.48 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.604 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -21.42 15.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.461 1.769 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.792 ' HB1' ' CG2' ' A' ' 101' ' ' THR . . . -63.05 -24.45 67.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 90' ' ' HIS . 19.2 p30 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.792 ' CG2' ' HB1' ' A' ' 92' ' ' ALA . 18.9 m -70.36 164.73 23.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.399 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.426 ' CB ' ' HD2' ' A' ' 105' ' ' ARG . 6.7 m120 -142.36 120.93 12.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.585 HD11 ' HB3' ' A' ' 77' ' ' LEU . 4.8 tp -61.88 -30.3 70.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.21 -44.78 82.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.426 ' HD2' ' CB ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -57.69 -47.32 82.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.444 HD13 ' CD2' ' A' ' 77' ' ' LEU . 97.2 mt -70.42 -26.73 63.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -54.91 -48.81 72.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.936 ' O ' HG13 ' A' ' 114' ' ' VAL . . . 100.76 5.9 53.14 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.447 1.092 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -89.04 -0.03 57.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.471 ' HB3' ' HG2' ' A' ' 113' ' ' MET . . . -58.72 165.3 2.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.73 122.03 18.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.99 -17.7 44.72 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.963 ' SD ' HD13 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -68.62 -35.98 78.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 110.999 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.936 HG13 ' O ' ' A' ' 108' ' ' GLY . 0.2 OUTLIER -98.41 132.71 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.07 2.01 66.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 71.6 m-80 -155.5 101.67 2.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -61.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.791 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -53.89 -52.73 59.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.87 -33.87 75.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.448 ' CG ' HD11 ' A' ' 124' ' ' LEU . 24.2 tt0 -66.04 -43.72 86.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.879 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -65.94 -31.64 72.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.69 -22.02 54.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.963 HD13 ' SD ' ' A' ' 113' ' ' MET . 2.0 tt -80.64 -38.0 29.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.448 HD11 ' CG ' ' A' ' 120' ' ' GLN . 0.3 OUTLIER -85.63 176.25 8.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.445 ' NH1' ' O ' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -99.01 156.4 35.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.253 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.61 2.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.552 1.817 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 147.63 -38.88 1.05 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -31.97 72.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.415 ' HA ' HD12 ' A' ' 132' ' ' ILE . 3.3 mt -58.79 -48.34 81.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 22.7 t -59.33 -39.92 80.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.57 -47.08 87.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.431 ' CG1' HD22 ' A' ' 106' ' ' LEU . 21.1 mt -61.64 -38.31 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.469 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 24.2 m -68.4 -39.23 81.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.379 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.45 -48.14 65.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 83.8 p -66.3 -34.07 77.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.28 93.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.554 HD21 HG12 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -69.99 -36.88 75.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . 0.451 ' CB ' ' OE1' ' A' ' 76' ' ' GLN . 3.6 mt-30 -67.49 -31.47 71.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.344 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -73.28 -34.96 66.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.669 ' CE1' HG21 ' A' ' 36' ' ' THR . 6.6 t80 -67.25 -55.16 15.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -59.1 -24.86 63.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -66.34 -42.93 87.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.578 HG13 HD23 ' A' ' 68' ' ' LEU . 25.6 t -70.63 -42.72 77.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -67.73 -21.18 65.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' PRO . . . . . 0.57 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.996 -0.424 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' TRP . . . . . 0.683 ' CH2' HD11 ' A' ' 180' ' ' LEU . 29.6 p90 -100.98 -20.36 15.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 107.991 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.5 -33.15 70.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -83.14 -22.13 33.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.683 HG22 ' CE1' ' A' ' 167' ' ' PHE . 67.7 mt -76.0 120.88 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.66 HG23 ' HD2' ' A' ' 196' ' ' LYS . 5.8 m -130.88 143.64 50.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . 0.561 ' HG2' ' CD2' ' A' ' 167' ' ' PHE . 0.0 OUTLIER -85.84 120.62 27.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.249 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -115.53 166.76 12.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.25 18.87 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.802 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.59 -34.99 53.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -100.48 135.25 42.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.256 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.82 147.23 28.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.605 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.9 OUTLIER -62.85 -51.68 66.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.947 HG23 HG21 ' A' ' 219' ' ' ILE . 0.5 OUTLIER -62.37 -43.2 97.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -58.22 -47.7 82.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.683 ' CE1' HG22 ' A' ' 156' ' ' ILE . 59.1 t80 -64.49 -42.13 96.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.4 ' O ' HD12 ' A' ' 172' ' ' ILE . . . -55.46 -39.72 70.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -61.75 -47.18 86.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 29.1 mmt85 -59.24 -41.19 88.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.592 HD12 ' CZ ' ' A' ' 167' ' ' PHE . 0.5 OUTLIER -66.89 -46.74 73.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.51 HG12 HD13 ' A' ' 189' ' ' ILE . 13.0 mt -58.62 -43.34 87.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -61.46 -38.79 88.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -67.46 -51.2 54.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 0.64 HG13 HD12 ' A' ' 180' ' ' LEU . 24.5 t -57.21 -39.19 65.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.439 ' OE1' ' NH2' ' A' ' 185' ' ' ARG . 0.0 OUTLIER -64.96 -56.22 14.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -50.59 -33.09 25.36 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 41.9 p -73.72 166.04 24.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -102.7 54.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.683 HD11 ' CH2' ' A' ' 153' ' ' TRP . 10.9 mt -69.02 160.08 80.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.628 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.2 Cg_endo -74.93 163.86 34.59 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 182' ' ' PRO . . . . . 0.41 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.3 Cg_endo -75.04 76.73 3.33 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.4 OUTLIER 165.22 -30.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.628 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -85.71 -11.26 54.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . 0.568 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 47.5 mtp180 -87.04 67.49 9.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.845 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 171.57 -55.8 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 187' ' ' PRO . . . . . 0.845 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -75.03 -30.38 7.18 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.768 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.421 HG21 ' HB1' ' A' ' 184' ' ' ALA . 54.7 t -64.13 -38.22 81.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 189' ' ' ILE . . . . . 0.524 HG13 HG21 ' A' ' 175' ' ' VAL . 22.0 mt -68.11 -48.02 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 190' ' ' ILE . . . . . 0.53 ' CD1' ' C ' ' A' ' 213' ' ' THR . 55.7 mt -68.13 -34.94 69.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 191' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 187' ' ' PRO . 16.2 t0 -58.23 -43.51 87.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 21.4 m -59.9 -48.62 80.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 108.253 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 193' ' ' PHE . . . . . 0.472 ' CZ ' HG22 ' A' ' 189' ' ' ILE . 10.6 m-30 -53.69 -40.71 66.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -94.49 10.07 36.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -88.73 -44.08 10.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 196' ' ' LYS . . . . . 0.66 ' HD2' HG23 ' A' ' 157' ' ' THR . 4.7 ttmt -139.12 -90.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 197' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 196' ' ' LYS . 1.8 m 37.8 -156.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.024 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -96.2 169.91 8.31 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 199' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' A' ' 203' ' ' GLN . 18.4 Cg_endo -74.97 -36.07 2.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 200' ' ' ASP . . . . . 0.468 ' CG ' ' N ' ' A' ' 201' ' ' ILE . 3.4 p-10 -65.06 -50.12 67.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.468 ' N ' ' CG ' ' A' ' 200' ' ' ASP . 32.5 mm -68.42 -40.95 83.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -66.94 -40.14 87.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.326 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . 0.435 ' O ' ' NE2' ' A' ' 203' ' ' GLN . 36.3 tp60 -65.3 -31.71 72.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . 0.876 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.6 OUTLIER -70.26 -49.93 44.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.578 HG13 HG21 ' A' ' 222' ' ' VAL . 6.2 mt -64.34 -37.49 80.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 14.8 mtt-85 -63.57 -33.59 75.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -87.94 2.96 50.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 208' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -60.01 155.07 46.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 209' ' ' PRO . . . . . 0.659 ' HD2' HD11 ' A' ' 212' ' ' LEU . 18.4 Cg_endo -74.96 155.15 43.1 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.71 26.34 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 3.3 t -111.27 -7.49 14.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.545 1.153 . . . . 0.0 110.454 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 212' ' ' LEU . . . . . 0.659 HD11 ' HD2' ' A' ' 209' ' ' PRO . 0.5 OUTLIER -140.22 167.0 23.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . 0.536 ' HA ' HD11 ' A' ' 218' ' ' ILE . 0.4 OUTLIER 176.76 43.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 214' ' ' THR . . . . . 0.432 ' C ' HD11 ' A' ' 190' ' ' ILE . 69.5 p -117.43 156.24 49.31 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.415 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 215' ' ' PRO . . . . . 0.478 ' HG3' HD12 ' A' ' 189' ' ' ILE . 18.3 Cg_endo -75.05 54.39 3.65 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.5 1.789 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -156.4 -58.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 217' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 221' ' ' TYR . 1.7 mp0 -74.98 -29.27 60.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 0.744 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 218' ' ' ILE . . . . . 0.536 HD11 ' HA ' ' A' ' 213' ' ' THR . 1.3 mp -66.1 -46.74 87.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 219' ' ' ILE . . . . . 0.947 HG21 HG23 ' A' ' 165' ' ' VAL . 4.1 mt -70.05 -50.56 46.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 220' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 221' ' ' TYR . 0.0 OUTLIER -55.53 -39.88 71.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.437 ' CB ' ' O ' ' A' ' 217' ' ' GLU . 8.4 t80 -63.93 -50.59 68.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.713 HG13 HD13 ' A' ' 204' ' ' LEU . 12.2 t -60.51 -43.87 95.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 36.1 mt -62.4 -40.6 97.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -62.95 -49.99 72.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 225' ' ' ARG . . . . . 0.876 ' HB3' HD11 ' A' ' 204' ' ' LEU . 3.9 tpt180 -60.48 -39.88 89.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.429 ' CD ' HD12 ' A' ' 18' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 15' ' ' GLU . 18.4 Cg_endo -75.02 -26.59 10.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.494 1.786 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 18' ' ' LEU . 9.7 pttt -57.42 -49.93 74.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.429 HD12 ' CD ' ' A' ' 15' ' ' GLU . 27.9 mt -63.7 -37.09 86.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.626 HD13 HD13 ' A' ' 56' ' ' LEU . 18.1 mt -65.29 -37.08 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.401 ' O ' ' CG ' ' A' ' 24' ' ' ASP . 26.1 m -60.04 -37.64 80.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.372 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -48.3 74.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.475 HD21 ' HG3' ' A' ' 39' ' ' GLU . 0.4 OUTLIER -66.5 -40.4 89.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.24 -33.88 77.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.771 ' O ' HG23 ' A' ' 28' ' ' THR . 94.2 m-20 -62.16 -42.71 99.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.498 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.2 m -60.98 -37.93 84.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.395 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.905 ' CG1' HG23 ' A' ' 36' ' ' THR . 63.5 t -62.05 -41.88 92.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -62.74 -48.35 79.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.771 HG23 ' O ' ' A' ' 24' ' ' ASP . 19.1 p -70.37 -29.33 65.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.694 ' CB ' HG21 ' A' ' 35' ' ' ILE . 20.8 mmtt -85.67 -13.86 47.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 97.05 119.02 3.74 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.94 -27.96 69.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 0.738 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.19 -0.25 57.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.01 169.15 15.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.974 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -30.96 6.61 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.694 HG21 ' CB ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -53.06 -22.81 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.905 HG23 ' CG1' ' A' ' 26' ' ' VAL . 50.3 m -65.54 -49.41 69.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 28.0 mmt -64.45 -35.69 81.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.23 -52.02 38.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.524 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -61.17 -47.43 86.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 36' ' ' THR . 53.0 t -60.56 -44.7 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.252 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 45' ' ' SER . 34.6 mt-10 -67.34 -24.35 65.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -62.32 -55.08 31.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.713 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -72.87 -46.62 51.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.357 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.573 ' HB3' HG22 ' A' ' 133' ' ' THR . 27.3 mtt -68.67 -11.25 59.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 41' ' ' GLU . 7.3 t -37.92 -31.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -108.82 165.83 11.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.983 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.86 34.56 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.444 HD13 HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -149.31 172.73 14.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.992 HD21 ' HB2' ' A' ' 121' ' ' ALA . 0.2 OUTLIER -74.91 165.18 56.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.499 ' O ' HG23 ' A' ' 54' ' ' THR . 18.2 Cg_endo -75.06 -31.48 6.09 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -41.29 82.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.616 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.43 ' HA ' ' OD1' ' A' ' 55' ' ' ASN . 48.1 m-20 -63.76 -32.65 74.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 49' ' ' LEU . 41.2 t -59.24 -44.93 93.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 50' ' ' PRO . 29.3 p -66.57 -46.64 75.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.514 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -63.47 -34.08 76.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.713 HD21 ' CD1' ' A' ' 43' ' ' LEU . 11.0 tp -71.82 -53.72 12.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.462 ' HG2' ' CE2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -57.33 -46.09 83.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 61' ' ' LEU . 30.4 ttt180 -56.91 -36.02 69.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 55' ' ' ASN . 17.4 t -71.13 -35.58 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.432 ' HB ' HD23 ' A' ' 61' ' ' LEU . 4.6 mt -77.65 -43.87 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.444 HD22 ' CE2' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -124.75 137.95 54.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.457 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -48.57 178.97 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.488 1.118 . . . . 0.0 111.027 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.425 ' HA ' ' HB3' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.02 -18.83 18.37 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.43 1.752 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.971 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -69.25 -60.21 4.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.971 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.98 -1.3 11.04 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.454 1.765 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.544 ' CZ ' ' SD ' ' A' ' 70' ' ' MET . 34.5 t80 -78.09 -42.01 33.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.26 90.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' A' ' 65' ' ' PRO . 6.0 mp -62.05 -37.34 84.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.667 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 16.0 t90 -67.97 -35.76 78.91 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.544 ' SD ' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -63.55 -44.26 94.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.85 -43.71 98.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.29 -31.34 64.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.667 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 20.4 t90 -65.9 -47.31 75.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 108.015 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.88 -44.01 92.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.3 t -68.02 -44.19 84.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 0.77 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.584 ' O ' HG22 ' A' ' 79' ' ' THR . 80.3 mm-40 -58.49 -46.23 87.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.745 ' CD2' HD13 ' A' ' 106' ' ' LEU . 2.7 mt -57.55 -47.04 83.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.587 ' HG3' HD21 ' A' ' 103' ' ' LEU . 42.7 mt-30 -58.66 -30.26 67.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.584 HG22 ' O ' ' A' ' 76' ' ' GLN . 0.5 OUTLIER -65.66 -35.25 80.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.384 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.709 HG12 HD12 ' A' ' 81' ' ' ILE . 0.9 OUTLIER -71.14 -44.13 74.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.709 HD12 HG12 ' A' ' 80' ' ' VAL . 1.5 mp -64.93 -49.27 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.402 ' HA ' HG22 ' A' ' 85' ' ' THR . . . -65.94 -33.75 76.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 79' ' ' THR . . . -67.61 -44.89 76.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.621 ' HB1' ' HB3' ' A' ' 93' ' ' ASN . . . -65.57 -51.05 62.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.428 ' CB ' ' HD2' ' A' ' 100' ' ' ARG . 1.2 t -62.29 -30.52 71.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.363 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 82' ' ' ALA . 0.9 OUTLIER -75.78 -39.38 57.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.297 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 87' ' ' ASP . 3.1 p30 -134.33 119.0 14.07 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 55.12 3.88 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -134.74 15.86 3.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.518 ' CB ' ' OD1' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -91.44 138.95 25.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.643 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.2 Cg_endo -75.02 -22.0 15.23 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.487 1.783 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.403 ' O ' ' HB ' ' A' ' 101' ' ' THR . . . -80.37 -13.11 59.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.621 ' HB3' ' HB1' ' A' ' 84' ' ' ALA . 1.1 p-10 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.428 ' HD2' ' CB ' ' A' ' 85' ' ' THR . 20.3 ttp180 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.595 HG23 HG13 ' A' ' 81' ' ' ILE . 1.5 t -70.51 170.33 12.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.409 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -155.6 152.19 28.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.587 HD21 ' HG3' ' A' ' 78' ' ' GLN . 1.4 tp -55.82 -43.06 76.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -62.87 -43.08 99.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -59.71 -46.81 87.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.333 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.745 HD13 ' CD2' ' A' ' 77' ' ' LEU . 31.0 mt -72.68 -15.99 61.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -78.5 -42.02 30.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 102.16 25.6 7.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.599 ' HA ' HG22 ' A' ' 114' ' ' VAL . 17.2 tp -98.99 5.3 47.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.421 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -60.32 157.01 14.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -56.48 124.47 18.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.99 2.28 71.07 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.542 1.151 . . . . 0.0 110.962 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.639 ' SD ' HD21 ' A' ' 124' ' ' LEU . 30.4 ttm -101.72 -9.47 20.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.764 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.599 HG22 ' HA ' ' A' ' 109' ' ' LEU . 0.9 OUTLIER -92.08 123.16 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 86.45 3.05 84.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.482 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 12.2 t-20 -124.52 103.44 31.93 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -71.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -53.92 -47.21 71.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.01 -36.52 88.74 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.529 ' CG ' HD11 ' A' ' 124' ' ' LEU . 28.9 tt0 -65.49 -43.59 89.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 0.762 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.992 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -65.95 -35.56 80.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.92 -17.72 58.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.466 HD13 ' HE2' ' A' ' 113' ' ' MET . 1.0 OUTLIER -83.42 -36.9 23.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.639 HD21 ' SD ' ' A' ' 113' ' ' MET . 0.2 OUTLIER -87.76 132.94 33.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.41 157.17 3.62 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 109.11 2.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.1 -37.19 1.26 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -33.52 70.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.9 -44.04 94.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 41.6 t -59.8 -39.87 81.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.74 78.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 50.2 mt -67.32 -40.32 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.573 HG22 ' HB3' ' A' ' 44' ' ' MET . 3.7 m -63.4 -49.12 75.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.429 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.33 -47.49 85.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 56.7 m -61.49 -34.02 74.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.976 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.49 -42.93 91.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.511 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -66.42 -35.23 79.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -36.57 81.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.428 1.08 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.401 ' HB3' ' NE1' ' A' ' 69' ' ' TRP . . . -68.37 -32.05 71.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 109.235 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.444 ' CE2' HD22 ' A' ' 61' ' ' LEU . 22.0 t80 -64.41 -62.27 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -52.87 -25.29 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.56 -40.03 77.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.407 HG22 ' HB3' ' A' ' 68' ' ' LEU . 13.6 t -74.17 -41.07 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.46 -46.78 87.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' PRO . . . . . 0.432 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' TRP . . . . . 0.792 ' CH2' HD11 ' A' ' 180' ' ' LEU . 16.5 p90 -51.01 -29.09 11.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 108.0 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -56.75 -32.85 65.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.52 -20.76 39.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.648 HG22 ' CZ ' ' A' ' 167' ' ' PHE . 12.1 mt -80.29 120.34 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.597 ' C ' ' CE2' ' A' ' 167' ' ' PHE . 20.7 m -131.76 125.19 31.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . 0.652 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 0.0 OUTLIER -62.83 129.71 41.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.314 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . 0.418 ' O ' ' NE2' ' A' ' 158' ' ' GLN . . . -107.23 154.24 16.66 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 111.025 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -18.09 19.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 15.4 p -90.73 -20.03 22.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -104.48 135.39 45.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.328 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 35.7 t -57.58 133.35 55.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 168' ' ' ALA . 2.0 t80 -61.4 -33.02 72.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.95 ' CG2' HD11 ' A' ' 223' ' ' LEU . 1.5 t -70.88 -52.96 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -56.28 -48.94 75.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.652 ' CZ ' ' N ' ' A' ' 158' ' ' GLN . 15.5 t80 -64.7 -33.71 76.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 164' ' ' PHE . . . -60.57 -50.24 74.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . 0.556 ' HA ' HG12 ' A' ' 172' ' ' ILE . 50.0 m-80 -52.5 -42.12 64.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -57.74 -37.6 73.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.629 HD11 ' HB3' ' A' ' 192' ' ' CYS . 0.3 OUTLIER -67.57 -32.66 73.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.651 ' N ' HD13 ' A' ' 172' ' ' ILE . 1.5 mm -68.2 -48.59 73.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -62.15 -36.63 82.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.401 ' CB ' HD11 ' A' ' 156' ' ' ILE . . . -68.52 -52.48 31.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 0.699 HG13 HD12 ' A' ' 180' ' ' LEU . 41.6 t -57.04 -45.73 84.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.91 -54.35 48.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -44.53 -34.62 3.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.115 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 3.5 p -77.46 166.06 23.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 110.013 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -103.07 56.47 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.792 HD11 ' CH2' ' A' ' 153' ' ' TRP . 14.8 mt -69.02 159.06 84.66 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.668 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.3 Cg_endo -75.01 165.67 30.82 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.428 1.752 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 182' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.1 Cg_endo -75.05 80.42 2.45 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.5 OUTLIER 159.74 -27.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.527 1.142 . . . . 0.0 109.962 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.668 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -84.07 -12.73 54.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . 0.57 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 24.4 mtm180 -87.9 70.53 9.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.875 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 171.54 -56.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 187' ' ' PRO . . . . . 0.875 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -74.96 -37.04 2.23 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 184' ' ' ALA . 89.0 t -58.14 -41.14 79.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 189' ' ' ILE . . . . . 0.591 HG13 HG21 ' A' ' 175' ' ' VAL . 14.3 mt -63.92 -48.18 87.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 190' ' ' ILE . . . . . 0.596 HG23 HG21 ' A' ' 218' ' ' ILE . 47.7 mt -65.68 -37.35 79.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 191' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 195' ' ' GLN . 0.3 OUTLIER -61.69 -42.58 99.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 192' ' ' CYS . . . . . 0.629 ' HB3' HD11 ' A' ' 171' ' ' LEU . 1.9 m -53.57 -47.78 69.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 108.306 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 193' ' ' PHE . . . . . 0.412 ' HB2' ' O ' ' A' ' 190' ' ' ILE . 17.1 m-30 -55.75 -28.07 54.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 194' ' ' ARG . . . . . 0.511 ' CD ' ' O ' ' A' ' 194' ' ' ARG . 1.1 ppt_? -120.77 30.34 6.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 191' ' ' ASP . 0.5 OUTLIER -115.63 -56.5 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 196' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 197' ' ' SER . 0.1 OUTLIER -118.03 -43.19 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 197' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 196' ' ' LYS . 0.9 OUTLIER -37.04 155.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 198' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 197' ' ' SER . 1.7 mp0 -41.99 165.06 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -33.61 4.47 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -59.54 -50.36 74.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 8.1 mm -70.2 -41.61 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 202' ' ' GLN . . . . . 0.404 ' OE1' ' C ' ' A' ' 194' ' ' ARG . 3.8 tt0 -61.65 -44.51 96.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -59.97 -30.98 69.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . 0.765 HD13 HG13 ' A' ' 222' ' ' VAL . 0.5 OUTLIER -67.7 -46.67 71.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.499 ' CG2' ' HB3' ' A' ' 194' ' ' ARG . 1.5 mp -65.86 -44.84 92.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -33.88 76.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.34 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -92.93 5.2 52.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 208' ' ' ALA . . . . . 0.509 ' HA ' ' CZ ' ' A' ' 221' ' ' TYR . . . -67.37 158.53 81.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 209' ' ' PRO . . . . . 0.833 ' HD2' HD11 ' A' ' 212' ' ' LEU . 18.2 Cg_endo -75.01 154.06 42.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.5 6.74 22.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . 0.482 ' O ' ' CG2' ' A' ' 211' ' ' THR . 1.0 OUTLIER -92.97 4.55 53.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 212' ' ' LEU . . . . . 0.833 HD11 ' HD2' ' A' ' 209' ' ' PRO . 1.7 pp -154.27 121.37 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . 0.469 ' C ' ' CD1' ' A' ' 190' ' ' ILE . 1.2 p -140.78 35.84 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.353 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 214' ' ' THR . . . . . 0.483 ' CA ' HD11 ' A' ' 190' ' ' ILE . 3.3 p -121.97 157.72 56.92 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.366 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 57.81 4.69 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -160.83 -52.59 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -74.67 -39.23 62.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 218' ' ' ILE . . . . . 0.601 HD13 ' CD1' ' A' ' 212' ' ' LEU . 15.5 mm -58.58 -37.28 64.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 219' ' ' ILE . . . . . 0.416 HG21 HG22 ' A' ' 165' ' ' VAL . 15.1 mt -71.94 -50.79 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 220' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 221' ' ' TYR . 0.0 OUTLIER -56.38 -33.32 65.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.723 ' CE2' HD22 ' A' ' 204' ' ' LEU . 1.3 t80 -74.76 -46.91 34.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.765 HG13 HD13 ' A' ' 204' ' ' LEU . 8.6 t -60.68 -51.27 75.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.95 HD11 ' CG2' ' A' ' 165' ' ' VAL . 67.4 mt -59.85 -36.03 76.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -71.48 -24.34 61.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 225' ' ' ARG . . . . . 0.488 ' CB ' HD21 ' A' ' 204' ' ' LEU . 2.1 ttm180 -92.32 -10.44 38.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . 0.507 ' NE2' HD23 ' A' ' 223' ' ' LEU . 38.4 mt-30 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -41.64 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 111.025 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 27.7 pttt -64.43 -47.23 79.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 15.4 mt -59.16 -37.05 76.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.483 HG23 ' CD1' ' A' ' 56' ' ' LEU . 4.5 mt -65.87 -37.26 79.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.5 m -61.34 -40.6 94.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.415 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -61.34 -48.55 80.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.627 HD23 ' HG2' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -66.41 -36.52 83.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.96 76.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.854 ' O ' HG23 ' A' ' 28' ' ' THR . 0.1 OUTLIER -65.02 -45.47 85.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.453 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.7 m -59.04 -39.24 81.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.603 HG13 ' OG1' ' A' ' 36' ' ' THR . 12.1 t -59.01 -45.79 92.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -66.75 -48.63 68.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.854 HG23 ' O ' ' A' ' 24' ' ' ASP . 35.0 p -68.35 -18.81 64.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.431 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.525 ' HB3' HG21 ' A' ' 35' ' ' ILE . 25.9 mmtt -95.18 -14.55 24.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.51 126.49 4.66 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.403 ' CD2' HG12 ' A' ' 26' ' ' VAL . 2.6 mm? -67.83 -40.01 83.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -88.33 2.52 52.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.349 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 1.4 t -93.47 155.54 40.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.036 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -74.94 102.83 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.525 HG21 ' HB3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER 164.39 -30.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.603 ' OG1' HG13 ' A' ' 26' ' ' VAL . 11.6 m -59.2 -48.28 82.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.434 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.93 -36.91 85.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 111.057 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.6 -52.2 41.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.627 ' HG2' HD23 ' A' ' 22' ' ' LEU . 2.5 mt-10 -60.17 -46.31 90.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 36' ' ' THR . 55.5 t -62.77 -41.09 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.462 ' HG3' ' CD2' ' A' ' 137' ' ' LEU . 12.5 mt-10 -68.26 -25.09 64.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -65.01 -54.23 33.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.701 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -72.14 -46.0 58.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 1.019 ' SD ' HD21 ' A' ' 48' ' ' LEU . 0.8 OUTLIER -71.38 -10.86 60.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 41' ' ' GLU . 51.4 p -37.16 -32.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' MET . 1.3 p -106.25 165.42 13.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.994 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 118.99 5.47 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.019 HD21 ' SD ' ' A' ' 44' ' ' MET . 0.4 OUTLIER -108.13 -176.75 3.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.841 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -87.86 164.37 34.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.442 ' HB3' HD13 ' A' ' 132' ' ' ILE . 18.4 Cg_endo -74.95 -41.89 0.6 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -68.16 -40.93 82.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.583 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.9 -34.61 78.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.841 HG23 ' O ' ' A' ' 49' ' ' LEU . 4.9 t -54.88 -46.14 75.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.492 ' HB ' ' CE ' ' A' ' 70' ' ' MET . 27.1 p -66.52 -39.88 88.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.673 ' O ' HG23 ' A' ' 59' ' ' VAL . 2.0 t30 -65.19 -40.23 93.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.701 HD21 ' CD1' ' A' ' 43' ' ' LEU . 12.2 tp -69.84 -52.11 27.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.445 ' HG2' ' CE2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -56.84 -44.51 82.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 111.005 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' A' ' 61' ' ' LEU . 50.7 ttt85 -56.4 -36.63 69.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.152 . . . . 0.0 110.304 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 55' ' ' ASN . 94.2 t -75.49 -34.88 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.467 ' HB ' HD23 ' A' ' 61' ' ' LEU . 7.8 mt -73.43 -44.17 54.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.665 HD22 ' CE1' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -122.58 136.31 54.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.432 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -50.0 -176.15 0.02 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -19.88 17.56 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.457 1.767 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.963 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.01 -60.22 2.98 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.963 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.98 -0.25 9.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.557 ' CZ ' ' SD ' ' A' ' 70' ' ' MET . 3.1 t80 -77.5 -42.82 34.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.83 -29.66 70.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.759 ' HB3' HG22 ' A' ' 143' ' ' VAL . 7.8 mp -67.51 -41.39 84.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.727 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 22.9 t90 -68.15 -38.78 82.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.031 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.557 ' SD ' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -60.65 -43.74 97.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -65.63 -43.38 89.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.48 -30.66 67.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.727 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 11.9 t90 -68.14 -40.62 82.38 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.85 -45.7 95.35 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.2 t -68.0 -46.89 80.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 0.744 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.456 ' O ' HG22 ' A' ' 79' ' ' THR . 86.7 mm-40 -56.44 -46.29 80.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.775 ' CD2' HD13 ' A' ' 106' ' ' LEU . 2.7 mt -61.78 -38.67 88.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.527 ' HG3' HD21 ' A' ' 103' ' ' LEU . 25.1 mt-30 -67.85 -29.9 69.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.549 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -65.72 -35.55 81.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.435 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.1 t -71.57 -50.96 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 1.036 HD13 HD12 ' A' ' 103' ' ' LEU . 0.9 OUTLIER -59.41 -49.42 83.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.18 -43.8 97.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 79' ' ' THR . . . -56.66 -47.32 80.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.488 ' HB2' ' CB ' ' A' ' 90' ' ' HIS . . . -65.95 -41.42 91.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.2 m -59.77 -36.67 77.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -74.57 -33.09 62.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 110.261 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.446 ' HB2' ' CD ' ' A' ' 89' ' ' ARG . 0.6 OUTLIER -135.01 114.93 11.9 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 55.49 3.92 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.787 . . . . 0.0 111.023 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.446 ' CD ' ' HB2' ' A' ' 87' ' ' ASP . 10.7 ptt85 -138.49 16.15 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.241 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.488 ' CB ' ' HB2' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -92.07 139.67 24.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.579 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -19.64 17.72 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.464 1.771 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.467 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -59.37 -26.83 65.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 90' ' ' HIS . 29.6 p30 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.4 tpp85 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.705 HG23 HG13 ' A' ' 81' ' ' ILE . 1.8 t -72.61 170.14 15.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.396 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -157.31 154.43 29.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 1.036 HD12 HD13 ' A' ' 81' ' ' ILE . 2.4 mp -63.66 -34.42 77.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.112 . . . . 0.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.43 -38.79 92.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -61.19 -47.04 87.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.775 HD13 ' CD2' ' A' ' 77' ' ' LEU . 31.5 mt -70.61 -31.72 68.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.94 -65.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.2 -6.44 5.68 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.461 ' HA ' HG22 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -82.92 5.21 22.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.876 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -59.89 163.87 4.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -70.64 133.32 46.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.157 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 79.93 -3.56 69.83 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.931 ' HE1' HD21 ' A' ' 124' ' ' LEU . 90.1 mtp -103.02 -24.72 13.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 0.758 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 110' ' ' ALA . 1.5 t -80.2 124.71 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.45 -1.11 68.92 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -137.18 98.69 10.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.422 0.719 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.401 ' O ' ' HG2' ' A' ' 120' ' ' GLN . 18.6 Cg_endo -74.95 -46.34 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.487 1.783 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -76.99 -28.79 55.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -75.97 -42.8 23.94 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.482 1.113 . . . . 0.0 111.024 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.428 ' HB2' ' CE ' ' A' ' 113' ' ' MET . 18.5 pt20 -66.07 -40.98 91.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 0.72 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.56 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -61.18 -41.01 96.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.23 -14.91 59.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.366 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.436 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -82.4 -35.42 27.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.931 HD21 ' HE1' ' A' ' 113' ' ' MET . 5.0 mt -75.5 -16.89 60.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.59 ' CG ' ' O ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER 81.44 158.16 0.12 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.434 ' N ' ' HD3' ' A' ' 125' ' ' ARG . 18.3 Cg_endo -74.99 107.78 2.57 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 142.76 -37.41 1.53 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.467 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 4.5 mt-10 -65.78 -38.79 89.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.741 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.84 -40.35 94.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.8 t -59.29 -39.67 79.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.68 -39.74 81.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.251 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.442 HD13 ' HB3' ' A' ' 50' ' ' PRO . 28.6 mt -69.07 -38.59 78.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.712 HG23 ' SD ' ' A' ' 44' ' ' MET . 4.5 m -65.52 -48.4 72.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.375 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.76 -45.73 91.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.0 m -64.24 -35.88 82.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.13 85.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.462 ' CD2' ' HG3' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -68.14 -33.03 73.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -71.68 -43.32 66.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.86 -33.04 73.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.665 ' CE1' HD22 ' A' ' 61' ' ' LEU . 6.8 t80 -66.49 -58.52 5.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -53.46 -25.14 15.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.71 -42.16 70.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.759 HG22 ' HB3' ' A' ' 68' ' ' LEU . 3.3 t -67.82 -42.87 86.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -65.55 -47.24 76.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' PRO . . . . . 0.553 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.913 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' TRP . . . . . 0.717 ' CH2' HD11 ' A' ' 180' ' ' LEU . 44.9 p90 -58.12 -24.42 58.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 107.961 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.15 -32.69 74.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.73 -19.88 47.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.633 HG22 ' CE1' ' A' ' 167' ' ' PHE . 8.3 mt -87.02 120.75 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.6 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 3.3 p -130.99 132.04 44.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.383 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . 0.648 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 48.6 tp60 -64.69 130.13 42.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -125.17 162.82 19.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -27.32 10.09 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.794 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 4.3 t -69.79 -27.77 65.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -107.67 135.59 48.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.445 ' CB ' ' HB2' ' A' ' 166' ' ' ASP . 0.1 OUTLIER -57.47 142.65 43.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.933 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.59 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.9 OUTLIER -56.0 -52.15 65.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 1.075 HG23 HG21 ' A' ' 219' ' ' ILE . 0.6 OUTLIER -67.43 -38.22 80.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.445 ' HB2' ' CB ' ' A' ' 163' ' ' SER . 0.7 OUTLIER -60.67 -48.36 82.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.648 ' CZ ' ' N ' ' A' ' 158' ' ' GLN . 60.1 t80 -65.96 -39.88 90.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.534 ' HB1' ' CZ ' ' A' ' 193' ' ' PHE . . . -56.51 -39.11 72.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 165' ' ' VAL . 41.2 m-80 -62.15 -49.84 74.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -58.64 -37.84 76.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.505 HD23 HG23 ' A' ' 175' ' ' VAL . 3.7 tt -70.12 -45.19 67.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.447 HG12 HD13 ' A' ' 189' ' ' ILE . 17.2 mt -60.29 -41.02 85.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -63.12 -36.81 84.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.514 ' CB ' HD11 ' A' ' 156' ' ' ILE . . . -68.9 -52.26 31.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 0.755 HG21 HG13 ' A' ' 189' ' ' ILE . 46.3 t -57.23 -48.06 83.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -53.66 -38.51 64.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -99.84 32.42 7.27 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 15.7 p -119.78 166.14 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 0.788 . . . . 0.0 109.992 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -89.38 83.27 6.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.717 HD11 ' CH2' ' A' ' 153' ' ' TRP . 15.8 mt -128.2 158.88 69.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.535 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.3 Cg_endo -75.02 160.93 39.51 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.547 1.814 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 182' ' ' PRO . . . . . 0.427 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.4 Cg_endo -74.95 78.05 2.97 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.473 1.775 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 1.0 OUTLIER 164.96 -33.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.535 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -78.65 -10.63 59.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . 0.492 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 30.0 mtm105 -83.19 69.12 9.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.9 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 175.2 -56.98 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 187' ' ' PRO . . . . . 0.9 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.4 Cg_endo -74.96 -26.5 10.93 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 79.6 t -69.62 -37.59 74.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 189' ' ' ILE . . . . . 0.755 HG13 HG21 ' A' ' 175' ' ' VAL . 7.7 mt -68.1 -47.28 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 190' ' ' ILE . . . . . 0.934 HD11 ' C ' ' A' ' 214' ' ' THR . 74.9 mt -66.3 -35.25 74.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -59.6 -37.63 79.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 17.6 m -64.94 -46.26 82.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 108.305 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 193' ' ' PHE . . . . . 0.534 ' CZ ' ' HB1' ' A' ' 168' ' ' ALA . 11.6 m-30 -54.02 -38.42 65.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 194' ' ' ARG . . . . . 0.621 ' HB3' HG21 ' A' ' 205' ' ' ILE . 9.4 ptt180 -95.83 7.03 47.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -86.19 -40.94 15.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.265 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 196' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 197' ' ' SER . 5.4 mtpp -139.84 -89.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 197' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 196' ' ' LYS . 2.0 m 38.7 -158.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 198' ' ' GLN . . . . . 0.456 ' O ' ' CB ' ' A' ' 202' ' ' GLN . 2.6 mp0 -94.04 171.5 6.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -38.55 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.522 1.801 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -64.4 -50.26 68.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 33.1 mm -68.38 -35.7 71.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 202' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 198' ' ' GLN . 0.7 OUTLIER -70.07 -42.87 72.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -62.87 -32.05 73.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . 0.931 HD21 ' HG3' ' A' ' 225' ' ' ARG . 0.4 OUTLIER -70.53 -49.35 49.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.621 HG21 ' HB3' ' A' ' 194' ' ' ARG . 3.5 mt -63.02 -39.07 83.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.98 -33.88 76.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -89.22 2.88 53.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 208' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -68.11 154.78 93.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 209' ' ' PRO . . . . . 0.457 ' HD2' HD11 ' A' ' 212' ' ' LEU . 18.2 Cg_endo -75.05 151.0 38.77 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.77 15.29 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.24 -8.66 38.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.16 . . . . 0.0 110.417 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 212' ' ' LEU . . . . . 0.758 ' O ' HG23 ' A' ' 213' ' ' THR . 0.2 OUTLIER -139.08 148.74 43.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . 0.758 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.3 p -161.54 46.95 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.378 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 214' ' ' THR . . . . . 0.94 HG23 ' HD2' ' A' ' 215' ' ' PRO . 1.3 m -122.55 150.83 58.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.4 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 215' ' ' PRO . . . . . 0.94 ' HD2' HG23 ' A' ' 214' ' ' THR . 18.0 Cg_endo -74.99 52.65 3.11 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.784 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -150.02 -60.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -75.72 -34.03 60.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 218' ' ' ILE . . . . . 0.597 HD12 HD13 ' A' ' 212' ' ' LEU . 1.2 mp -59.51 -46.62 92.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 219' ' ' ILE . . . . . 1.075 HG21 HG23 ' A' ' 165' ' ' VAL . 2.6 mt -72.34 -43.44 64.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -32.81 69.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.411 ' CZ ' HD23 ' A' ' 204' ' ' LEU . 3.5 t80 -74.43 -50.64 17.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.977 HG12 ' OE1' ' A' ' 226' ' ' GLN . 24.1 t -60.36 -40.93 85.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.672 HD23 ' OE1' ' A' ' 226' ' ' GLN . 31.2 mt -68.45 -43.33 77.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -64.58 -21.93 66.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 225' ' ' ARG . . . . . 0.931 ' HG3' HD21 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -83.22 -44.94 14.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.341 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . 0.977 ' OE1' HG12 ' A' ' 222' ' ' VAL . 6.3 mt-30 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.466 ' CD ' HD12 ' A' ' 18' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 20' ' ' THR . 18.4 Cg_endo -75.02 -25.22 12.03 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 62.4 pttt -57.66 -45.96 84.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.466 HD12 ' CD ' ' A' ' 15' ' ' GLU . 16.1 mt -63.16 -47.93 80.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.536 ' CG2' HD12 ' A' ' 56' ' ' LEU . 10.3 mt -63.57 -36.83 77.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 16' ' ' PRO . 35.5 m -60.21 -37.86 81.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 110.37 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -64.25 -48.57 75.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.436 ' CD2' ' HG3' ' A' ' 39' ' ' GLU . 1.8 mt -66.03 -40.02 90.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.355 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.529 ' HB2' HG12 ' A' ' 60' ' ' ILE . . . -65.72 -33.11 75.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 28' ' ' THR . 0.2 OUTLIER -61.95 -37.74 85.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -67.07 -37.37 83.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.425 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.764 ' CG1' HG23 ' A' ' 36' ' ' THR . 91.5 t -58.01 -46.43 87.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -48.87 79.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 24' ' ' ASP . 64.8 p -65.91 -32.6 74.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.435 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.745 ' CB ' HG21 ' A' ' 35' ' ' ILE . 10.4 mmtt -84.84 -13.36 51.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 89.21 123.95 2.37 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.132 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.481 HD12 HG12 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -67.25 -31.22 71.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.763 . . . . 0.0 109.329 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -93.37 2.16 56.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.73 161.25 25.64 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 35' ' ' ILE . 18.1 Cg_endo -75.01 106.41 2.27 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.745 HG21 ' CB ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER 163.94 -29.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.764 HG23 ' CG1' ' A' ' 26' ' ' VAL . 81.4 m -58.59 -48.77 79.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.375 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -33.22 75.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.27 -52.22 24.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.567 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -61.13 -47.16 87.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 36' ' ' THR . 64.7 t -59.81 -46.75 93.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.596 ' HG3' HD21 ' A' ' 137' ' ' LEU . 33.3 mt-10 -59.74 -24.27 63.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -67.41 -55.78 12.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.796 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -71.7 -43.64 65.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.515 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 29.2 mtt -74.25 -10.82 59.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 44' ' ' MET . 11.6 t -35.75 -41.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.932 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p -101.29 165.16 14.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.0 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 149.62 36.73 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.478 ' H ' HD12 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -148.77 174.04 12.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.72 ' O ' HG23 ' A' ' 53' ' ' VAL . 16.0 mt -80.19 161.56 64.86 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.612 ' O ' HG23 ' A' ' 54' ' ' THR . 18.4 Cg_endo -74.93 -26.36 11.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.52 1.8 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -67.63 -50.28 58.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.604 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -63.65 -32.33 73.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 49' ' ' LEU . 6.9 t -53.95 -46.38 64.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 50' ' ' PRO . 22.9 p -67.03 -37.35 83.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.388 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.402 ' O ' HG23 ' A' ' 59' ' ' VAL . 2.6 t30 -63.84 -44.01 94.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.796 HD21 ' CD1' ' A' ' 43' ' ' LEU . 11.6 tp -69.97 -50.83 37.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.999 ' O ' HD12 ' A' ' 61' ' ' LEU . 19.3 mmt -57.46 -31.04 65.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.045 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.429 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 0.3 OUTLIER -69.23 -36.5 77.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 55' ' ' ASN . 54.0 t -71.19 -41.44 75.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.529 HG12 ' HB2' ' A' ' 23' ' ' ALA . 32.6 mt -76.0 -44.13 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.999 HD12 ' O ' ' A' ' 57' ' ' MET . 0.1 OUTLIER -113.78 128.79 56.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.487 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -60.86 -167.3 0.36 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.432 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.0 -22.62 14.63 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.451 1.764 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.938 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.46 -58.13 3.97 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.938 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.97 5.14 4.14 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.432 ' HB2' ' HA ' ' A' ' 63' ' ' PRO . 1.2 t80 -76.55 -47.68 21.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.3 -29.83 70.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.706 ' HB3' HG22 ' A' ' 143' ' ' VAL . 6.0 mp -69.0 -45.37 70.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.734 ' CZ3' ' CE3' ' A' ' 73' ' ' TRP . 35.1 t90 -71.0 -35.96 72.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 107.995 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -35.05 77.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -71.06 -46.74 61.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.41 -44.92 73.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.734 ' CE3' ' CZ3' ' A' ' 69' ' ' TRP . 19.0 t90 -52.37 -42.58 64.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 108.015 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.18 -41.17 98.09 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.6 t -68.04 -46.88 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -61.81 -37.32 83.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.795 ' CD2' HD13 ' A' ' 106' ' ' LEU . 3.1 mt -70.84 -37.24 73.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.518 ' HA ' HD13 ' A' ' 103' ' ' LEU . 46.5 mt-30 -69.59 -41.22 76.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -33.9 76.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.61 -45.97 93.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.572 HG13 HG23 ' A' ' 101' ' ' THR . 0.4 OUTLIER -69.6 -47.87 68.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.6 -48.81 76.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.49 -47.45 79.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 87' ' ' ASP . . . -59.46 -48.62 80.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 m -58.71 -30.29 67.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.5 ttt85 -75.58 -36.48 60.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 84' ' ' ALA . 7.1 t0 -135.87 120.15 13.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 55.49 3.95 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.27 13.35 3.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.448 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -90.2 137.52 27.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.594 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -75.0 -21.79 15.48 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.529 1.805 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.446 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -62.29 -23.35 66.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 90' ' ' HIS . 16.5 p30 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.572 HG23 HG13 ' A' ' 81' ' ' ILE . 6.3 t -70.89 163.57 27.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -144.2 145.83 32.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.545 HD12 HD13 ' A' ' 81' ' ' ILE . 4.8 tp -65.91 -46.7 77.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.478 ' HA ' ' CG ' ' A' ' 107' ' ' LYS . 0.8 OUTLIER -53.94 -40.05 66.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.8 mmt-85 -53.71 -36.01 61.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.165 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.795 HD13 ' CD2' ' A' ' 77' ' ' LEU . 13.6 mt -88.25 -24.6 23.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.478 ' CG ' ' HA ' ' A' ' 104' ' ' ASP . 22.5 mmtp -51.03 -42.68 60.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 115.09 22.48 4.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.9 tp -108.51 7.0 26.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.489 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -57.36 155.33 9.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -55.28 121.84 9.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 116' ' ' ASN . . . 87.25 -18.52 36.42 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.49 ' CG ' ' HG3' ' A' ' 120' ' ' GLN . 1.6 ttt -62.62 -32.95 74.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 0.762 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.86 123.07 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 94.43 3.35 63.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 112' ' ' GLY . 9.2 p-10 176.89 86.96 0.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.484 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.0 -36.46 2.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -55.7 -56.75 16.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.14 -31.73 66.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.936 ' OE1' HD22 ' A' ' 123' ' ' LEU . 0.2 OUTLIER -66.44 -41.6 88.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 0.0 110.296 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.25 86.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.68 -13.05 60.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.936 HD22 ' OE1' ' A' ' 120' ' ' GLN . 0.1 OUTLIER -76.63 -37.46 56.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.841 ' N ' HD23 ' A' ' 123' ' ' LEU . 2.0 pp -112.77 147.9 35.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.433 ' HB2' ' HD2' ' A' ' 126' ' ' PRO . 0.0 OUTLIER -76.15 172.44 9.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.341 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 125' ' ' ARG . 18.2 Cg_endo -75.03 108.79 2.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.79 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -179.66 -54.6 0.08 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.446 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 15.6 mt-10 -65.72 -31.23 72.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.681 ' HA ' HD12 ' A' ' 132' ' ' ILE . 3.5 mt -65.6 -43.3 90.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.62 -39.86 77.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.37 80.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.681 HD12 ' HA ' ' A' ' 129' ' ' LEU . 13.5 mt -69.97 -37.53 72.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.506 HG22 ' HB3' ' A' ' 44' ' ' MET . 1.2 m -66.24 -49.57 66.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.55 -48.39 79.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 68.2 p -64.48 -33.66 76.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 132' ' ' ILE . . . -67.86 -43.62 79.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.596 HD21 ' HG3' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -61.22 -37.94 84.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.91 -33.39 74.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.64 -33.62 75.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.564 ' CE1' HG21 ' A' ' 36' ' ' THR . 1.1 t80 -73.79 -53.5 10.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.474 ' O ' ' HG2' ' A' ' 141' ' ' ARG . 0.0 OUTLIER -56.53 -27.53 57.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.334 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.466 ' N ' ' HD3' ' A' ' 141' ' ' ARG . 5.1 tp10 -74.71 -39.59 61.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.706 HG22 ' HB3' ' A' ' 68' ' ' LEU . 8.9 t -73.21 -43.51 57.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -57.93 -42.94 85.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' PRO . . . . . 0.553 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' TRP . . . . . 0.732 ' CH2' HD11 ' A' ' 180' ' ' LEU . 38.7 p90 -51.16 -29.3 13.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 108.02 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -60.99 -33.22 72.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 152' ' ' PRO . 0.8 OUTLIER -81.59 -22.16 37.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.916 HG22 ' CE1' ' A' ' 167' ' ' PHE . 21.9 mt -73.15 120.74 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.2 p -130.82 133.57 46.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.35 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . 0.568 ' HB3' ' CD2' ' A' ' 167' ' ' PHE . 0.0 OUTLIER -100.46 130.05 46.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.337 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -95.79 176.96 33.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . 0.416 ' HA ' ' OE1' ' A' ' 198' ' ' GLN . 18.4 Cg_endo -75.0 -17.79 19.24 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 84.1 p -107.75 18.71 21.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -116.81 135.27 53.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.88 131.22 50.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.722 ' CE2' HG23 ' A' ' 219' ' ' ILE . 1.5 t80 -70.2 -43.35 70.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.593 HG22 HG21 ' A' ' 219' ' ' ILE . 2.3 t -67.17 -47.94 80.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -56.31 -47.49 78.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.916 ' CE1' HG22 ' A' ' 156' ' ' ILE . 80.7 t80 -64.99 -33.57 76.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.654 ' O ' HD12 ' A' ' 172' ' ' ILE . . . -63.45 -32.86 74.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -68.7 -48.74 63.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 19.2 mtp85 -61.92 -37.15 83.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.875 HD12 ' CE2' ' A' ' 167' ' ' PHE . 1.0 OUTLIER -70.86 -49.73 42.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.654 HD12 ' O ' ' A' ' 168' ' ' ALA . 17.9 mt -57.76 -42.09 81.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -35.18 79.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.422 ' HB2' HD11 ' A' ' 156' ' ' ILE . . . -68.27 -52.03 38.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 0.641 HG13 HD12 ' A' ' 180' ' ' LEU . 39.1 t -58.33 -42.78 84.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -61.35 -56.12 24.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -59.25 -23.33 57.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.153 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.8 p -74.95 165.95 24.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -103.03 56.52 0.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.732 HD11 ' CH2' ' A' ' 153' ' ' TRP . 14.3 mt -78.89 162.3 65.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.638 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.4 Cg_endo -75.01 164.08 34.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.778 . . . . 0.0 111.057 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 182' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.3 Cg_endo -74.99 80.47 2.42 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 111.034 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.7 OUTLIER 159.9 -27.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.034 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.638 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -84.11 -11.71 56.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . 0.617 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 7.9 mtm180 -86.69 70.98 10.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.901 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 167.97 -56.62 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 187' ' ' PRO . . . . . 0.901 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -75.02 -30.62 6.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.503 HG21 ' HB1' ' A' ' 184' ' ' ALA . 79.5 t -64.9 -43.97 96.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 189' ' ' ILE . . . . . 0.624 HG13 HG21 ' A' ' 175' ' ' VAL . 29.0 mt -63.19 -47.64 91.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 190' ' ' ILE . . . . . 0.726 HD11 ' C ' ' A' ' 214' ' ' THR . 74.9 mt -66.11 -45.77 89.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -58.74 -36.97 75.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 7.2 m -56.78 -48.72 77.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 108.313 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 193' ' ' PHE . . . . . 0.4 ' N ' ' CD1' ' A' ' 193' ' ' PHE . 11.0 m-30 -54.28 -35.71 62.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 194' ' ' ARG . . . . . 0.455 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 0.0 OUTLIER -105.75 20.57 18.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.288 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -102.68 -46.3 4.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.36 63.76 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.163 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 197' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.68 -177.8 4.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.969 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 198' ' ' GLN . . . . . 0.416 ' OE1' ' HA ' ' A' ' 160' ' ' PRO . 2.2 mp0 -52.3 157.82 2.19 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.323 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -35.71 2.97 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -65.55 -47.23 76.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.477 ' O ' HD12 ' A' ' 205' ' ' ILE . 11.6 mm -69.38 -38.87 78.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.05 -45.96 69.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -60.42 -31.11 70.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . 0.894 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.4 OUTLIER -70.3 -47.92 58.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 201' ' ' ILE . 0.7 OUTLIER -63.59 -40.16 88.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -33.99 77.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -91.33 5.08 50.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 208' ' ' ALA . . . . . 0.488 ' HA ' ' CE2' ' A' ' 221' ' ' TYR . . . -61.71 154.92 63.94 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 209' ' ' PRO . . . . . 0.692 ' HB2' HG22 ' A' ' 211' ' ' THR . 18.2 Cg_endo -75.06 155.17 42.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.53 1.805 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.94 17.31 5.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.05 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . 0.692 HG22 ' HB2' ' A' ' 209' ' ' PRO . 9.2 t -102.59 -6.87 22.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 212' ' ' LEU . . . . . 0.75 ' O ' HG23 ' A' ' 213' ' ' THR . 0.5 OUTLIER -145.49 143.46 30.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.4 p -161.19 45.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.354 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 214' ' ' THR . . . . . 0.726 ' C ' HD11 ' A' ' 190' ' ' ILE . 31.4 p -121.83 157.74 56.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 55.56 4.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.494 1.787 . . . . 0.0 111.005 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -158.79 -56.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.562 1.164 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -74.2 -31.66 62.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 0.0 110.313 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 218' ' ' ILE . . . . . 0.524 HG12 HD13 ' A' ' 190' ' ' ILE . 1.4 mp -63.51 -39.42 85.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 219' ' ' ILE . . . . . 0.722 HG23 ' CE2' ' A' ' 164' ' ' PHE . 6.7 mt -73.41 -49.4 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.65 -42.75 75.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.561 ' CZ ' HD23 ' A' ' 204' ' ' LEU . 2.5 t80 -64.96 -45.21 86.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.503 ' HA ' HD22 ' A' ' 204' ' ' LEU . 3.2 t -60.49 -47.83 91.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.568 HD11 ' CG2' ' A' ' 165' ' ' VAL . 70.7 mt -62.67 -38.03 88.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -63.38 -43.27 98.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 225' ' ' ARG . . . . . 0.894 ' HB3' HD11 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -69.74 -40.32 76.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 1.6 tp10 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 15' ' ' GLU . 18.3 Cg_endo -75.02 -30.8 6.75 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.501 1.79 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -46.51 63.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.6 mt -69.39 -46.82 65.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.574 HG23 ' CD1' ' A' ' 56' ' ' LEU . 37.7 mt -58.14 -36.75 58.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.1 m -67.27 -39.4 86.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -67.26 -49.28 65.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.659 HD23 ' CD ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -66.52 -42.36 87.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.432 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -63.9 -31.83 73.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.849 ' O ' HG23 ' A' ' 28' ' ' THR . 13.0 t70 -61.43 -47.35 86.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 29' ' ' LYS . 1.2 m -61.99 -37.31 84.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.679 HG13 ' CG2' ' A' ' 36' ' ' THR . 2.6 t -58.27 -45.2 89.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -67.42 -48.99 65.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.849 HG23 ' O ' ' A' ' 24' ' ' ASP . 31.1 p -68.23 -19.31 64.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 33' ' ' SER . 18.5 mmtt -95.23 -14.56 23.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.01 131.6 0.27 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.685 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -67.58 -17.72 64.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 0.734 . . . . 0.0 109.328 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.83 2.85 50.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 8.0 t -101.92 145.82 31.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.004 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 54.7 3.7 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.434 HD12 ' HD2' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -141.18 -41.3 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.679 ' CG2' HG13 ' A' ' 26' ' ' VAL . 2.6 m -57.11 -42.55 81.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.77 ' SD ' HD23 ' A' ' 137' ' ' LEU . 0.4 OUTLIER -61.45 -44.36 97.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.75 -43.88 74.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.659 ' CD ' HD23 ' A' ' 22' ' ' LEU . 1.9 mt-10 -59.73 -47.56 85.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 36' ' ' THR . 42.9 t -61.36 -45.92 97.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.764 ' HG3' HD22 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -63.75 -23.94 67.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -64.37 -55.35 21.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.62 HD11 HD21 ' A' ' 56' ' ' LEU . 1.2 pp -72.7 -44.53 61.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.764 ' SD ' HG23 ' A' ' 133' ' ' THR . 0.6 OUTLIER -72.73 -9.08 58.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 111.018 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 41' ' ' GLU . 8.6 t -37.82 -31.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 44' ' ' MET . 1.3 p -102.12 165.24 14.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.047 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 140.2 25.04 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.876 HD13 HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -138.62 174.54 10.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.755 ' O ' HG23 ' A' ' 53' ' ' VAL . 11.6 mt -83.42 161.18 57.61 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.659 ' O ' HG23 ' A' ' 54' ' ' THR . 18.3 Cg_endo -75.01 -31.18 6.4 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -66.67 -52.09 48.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.605 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.468 ' OD2' ' N ' ' A' ' 49' ' ' LEU . 1.6 p30 -63.99 -31.75 73.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.876 HG23 HD13 ' A' ' 48' ' ' LEU . 2.3 t -53.58 -46.75 60.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.659 HG23 ' O ' ' A' ' 50' ' ' PRO . 24.8 p -66.91 -41.12 87.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -58.54 -44.03 89.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.62 HD21 HD11 ' A' ' 43' ' ' LEU . 13.1 tp -68.4 -48.28 65.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.998 ' O ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -58.32 -30.57 66.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' A' ' 61' ' ' LEU . 7.3 ttt180 -69.94 -36.16 75.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.62 -39.31 75.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.451 ' CG2' HG11 ' A' ' 26' ' ' VAL . 12.9 mt -79.11 -44.09 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.998 HD12 ' O ' ' A' ' 57' ' ' MET . 0.1 OUTLIER -117.35 136.22 53.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.609 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -67.32 -169.59 4.23 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.5 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.1 Cg_endo -75.03 -19.2 18.0 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.863 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -68.96 -55.99 9.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.863 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.07 -20.04 17.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.509 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 0.6 OUTLIER -53.0 -43.82 66.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 111.043 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.27 -35.39 80.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.704 ' HB3' HG22 ' A' ' 143' ' ' VAL . 7.0 mp -69.73 -42.89 73.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.645 ' CH2' ' CE3' ' A' ' 73' ' ' TRP . 27.2 t90 -71.29 -38.71 71.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 108.013 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.0 mmt -66.72 -35.55 80.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -71.15 -45.45 63.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.78 -34.92 74.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.645 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 18.2 t90 -66.3 -41.22 90.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.022 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.2 -49.43 75.8 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 37.7 t -68.48 -45.87 81.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 109.272 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -54.58 -46.12 73.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.772 ' CD2' HD13 ' A' ' 106' ' ' LEU . 0.8 OUTLIER -55.87 -45.1 78.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -61.86 -37.82 85.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.19 -35.61 73.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.3 t -69.13 -34.57 64.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.556 HG13 HD13 ' A' ' 103' ' ' LEU . 17.5 mm -66.01 -48.26 82.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.93 -36.31 75.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.34 -38.84 91.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.699 ' HB1' ' OD1' ' A' ' 93' ' ' ASN . . . -62.43 -50.4 71.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.14 -29.12 68.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -75.26 -38.86 60.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -114.18 111.03 47.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 55.03 3.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.89 32.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.535 ' CD2' ' HA ' ' A' ' 84' ' ' ALA . 0.3 OUTLIER -83.51 138.18 41.5 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 109.604 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.431 ' HD2' ' ND1' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -75.03 -21.91 15.3 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.789 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.11 -10.82 59.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.699 ' OD1' ' HB1' ' A' ' 84' ' ' ALA . 87.5 m-20 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.435 HG23 HD12 ' A' ' 81' ' ' ILE . 4.2 t -71.07 169.9 14.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.44 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -142.05 140.59 32.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.556 HD13 HG13 ' A' ' 81' ' ' ILE . 5.7 tp -59.23 -29.87 67.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -63.1 -40.35 97.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.947 ' O ' ' HE1' ' A' ' 113' ' ' MET . 4.6 mtt180 -64.14 -46.92 81.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.772 HD13 ' CD2' ' A' ' 77' ' ' LEU . 95.9 mt -69.43 -15.63 63.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.28 -59.93 2.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.235 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.808 ' O ' HG13 ' A' ' 114' ' ' VAL . . . 108.57 30.02 3.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.109 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 109' ' ' LEU . 6.4 tp -107.24 -7.53 16.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.79 162.67 3.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.403 ' O ' HD11 ' A' ' 123' ' ' LEU . 2.1 p-10 -71.61 125.34 26.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.1 -2.38 65.85 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 1.018 ' SD ' HD21 ' A' ' 124' ' ' LEU . 0.2 OUTLIER -98.94 -34.41 10.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 0.742 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.808 HG13 ' O ' ' A' ' 108' ' ' GLY . 0.0 OUTLIER -97.93 132.45 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.84 2.73 66.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.12 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -151.96 116.84 3.05 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -74.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -36.24 64.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.66 -39.29 97.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.494 ' OE1' HD13 ' A' ' 49' ' ' LEU . 1.6 tt0 -66.28 -44.37 83.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.57 89.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.88 -16.98 62.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.452 HD23 ' C ' ' A' ' 123' ' ' LEU . 8.9 tt -79.08 -41.53 28.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 1.018 HD21 ' SD ' ' A' ' 113' ' ' MET . 0.1 OUTLIER -91.47 129.74 37.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.445 ' NH1' ' HB2' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -57.5 158.13 11.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 107.98 2.61 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 166.55 -54.77 0.24 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.12 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.5 ' HB2' HD21 ' A' ' 106' ' ' LEU . 2.3 pm0 -57.23 -29.32 63.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.446 ' N ' ' HG2' ' A' ' 128' ' ' GLU . 18.5 mt -57.08 -45.06 83.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 42.2 t -66.47 -39.96 85.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.56 -40.05 81.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 129' ' ' LEU . 21.0 mt -68.83 -38.64 78.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.764 HG23 ' SD ' ' A' ' 44' ' ' MET . 8.8 m -65.41 -49.41 69.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.24 89.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.373 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.41 -36.08 73.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.026 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.59 98.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.77 HD23 ' SD ' ' A' ' 37' ' ' MET . 0.4 OUTLIER -69.92 -33.17 71.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -64.16 -43.12 96.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.55 -33.55 74.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -63.82 -58.72 5.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -54.22 -26.7 29.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -68.75 -43.08 76.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.704 HG22 ' HB3' ' A' ' 68' ' ' LEU . 24.6 t -63.16 -42.76 97.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.25 -22.67 60.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' PRO . . . . . 0.48 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.925 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' TRP . . . . . 0.6 ' CH2' HD21 ' A' ' 180' ' ' LEU . 26.7 p90 -101.11 -26.44 13.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 108.008 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.0 -32.92 66.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.83 -22.1 43.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.81 HG22 ' CE1' ' A' ' 167' ' ' PHE . 52.4 mt -77.5 120.89 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.147 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.601 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 42.0 p -131.32 134.19 46.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.351 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . 0.563 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 8.7 tm0? -68.76 124.14 22.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -115.52 160.17 13.42 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -23.65 13.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 89.7 p -73.92 -30.73 62.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 110.006 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -104.22 136.19 44.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 11.1 t -56.76 140.5 47.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.746 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.5 OUTLIER -55.67 -52.42 63.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.992 HG23 HG21 ' A' ' 219' ' ' ILE . 1.0 OUTLIER -60.01 -43.33 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -57.06 -43.99 82.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.81 ' CE1' HG22 ' A' ' 156' ' ' ILE . 56.5 t80 -67.81 -40.77 83.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -58.21 -36.5 73.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -64.86 -49.23 71.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -59.06 -37.42 77.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.656 HD11 ' HB3' ' A' ' 192' ' ' CYS . 0.7 OUTLIER -69.98 -50.57 40.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.532 HG12 HD13 ' A' ' 189' ' ' ILE . 59.5 mt -57.75 -35.49 51.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -37.53 77.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.86 -40.55 79.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 0.704 HG13 HD12 ' A' ' 180' ' ' LEU . 25.4 t -69.89 -41.13 79.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.78 -35.59 81.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -93.54 23.66 29.29 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 60.4 p -124.79 166.12 16.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.775 . . . . 0.0 109.942 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.34 91.32 5.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.704 HD12 HG13 ' A' ' 175' ' ' VAL . 19.6 mt -117.81 158.13 46.42 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.4 16.44 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 182' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.4 Cg_endo -74.94 136.02 19.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 1.7 t 85.16 -9.03 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -87.9 -18.97 28.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . 0.518 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 64.1 mtm180 -86.43 75.34 9.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.901 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 174.76 -56.92 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 187' ' ' PRO . . . . . 0.901 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -74.99 -28.41 9.2 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 43.0 t -66.82 -43.0 89.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 189' ' ' ILE . . . . . 0.557 HG13 HG21 ' A' ' 175' ' ' VAL . 11.9 mt -67.82 -48.36 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 190' ' ' ILE . . . . . 0.766 HG23 HG21 ' A' ' 218' ' ' ILE . 29.1 mt -65.66 -39.49 85.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 191' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 187' ' ' PRO . 17.0 t70 -63.96 -36.39 83.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 192' ' ' CYS . . . . . 0.656 ' HB3' HD11 ' A' ' 171' ' ' LEU . 20.2 m -56.8 -42.79 80.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 108.328 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 193' ' ' PHE . . . . . 0.44 ' CD2' ' HA ' ' A' ' 190' ' ' ILE . 17.7 m-30 -61.15 -50.48 73.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 194' ' ' ARG . . . . . 0.52 ' HB3' HG21 ' A' ' 205' ' ' ILE . 2.5 ptt180 -84.8 14.89 4.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.45 -33.11 10.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -168.87 75.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 197' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 198' ' ' GLN . 51.8 p -141.06 165.93 26.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.993 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 198' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 197' ' ' SER . 2.8 mp0 -43.14 166.35 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -38.89 1.38 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.507 1.793 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -65.42 -50.2 66.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.401 ' HA ' HD13 ' A' ' 201' ' ' ILE . 11.7 mm -61.76 -45.42 98.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.231 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -65.63 -46.02 80.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -60.64 -34.25 74.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . 0.876 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.6 OUTLIER -64.3 -49.85 70.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.52 HG21 ' HB3' ' A' ' 194' ' ' ARG . 0.3 OUTLIER -63.93 -39.93 87.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -38.72 92.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -83.84 -11.91 56.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 208' ' ' ALA . . . . . 0.686 ' HB2' ' CE2' ' A' ' 221' ' ' TYR . . . -63.75 161.1 39.68 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 209' ' ' PRO . . . . . 0.5 ' HD2' HD12 ' A' ' 212' ' ' LEU . 18.3 Cg_endo -74.94 155.73 43.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.66 9.26 9.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 46.8 m -92.6 -9.2 41.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 212' ' ' LEU . . . . . 0.818 ' O ' HG23 ' A' ' 213' ' ' THR . 2.7 mt -105.02 132.26 51.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . 0.818 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.0 OUTLIER -163.33 38.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.442 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 214' ' ' THR . . . . . 0.602 ' C ' HD11 ' A' ' 190' ' ' ILE . 13.3 p -133.82 153.01 79.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.401 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 55.39 3.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 216' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 220' ' ' LYS . . . -164.87 -50.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.536 1.148 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 217' ' ' GLU . . . . . 0.535 ' CD ' ' HG1' ' A' ' 214' ' ' THR . 2.7 mt-10 -71.72 -33.32 68.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.77 . . . . 0.0 110.252 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 218' ' ' ILE . . . . . 0.766 HG21 HG23 ' A' ' 190' ' ' ILE . 33.7 mm -65.05 -50.48 74.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 219' ' ' ILE . . . . . 0.992 HG21 HG23 ' A' ' 165' ' ' VAL . 3.0 mt -72.01 -41.42 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 220' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 216' ' ' GLY . 0.2 OUTLIER -59.24 -38.17 79.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.245 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.732 ' CE2' HD23 ' A' ' 204' ' ' LEU . 15.7 t80 -73.87 -45.11 52.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.513 HG11 ' CE2' ' A' ' 164' ' ' PHE . 2.4 t -60.14 -43.65 93.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.65 -39.7 91.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -63.73 -34.26 77.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 225' ' ' ARG . . . . . 0.876 ' HB3' HD11 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -79.19 -39.74 32.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.01 -25.54 11.75 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.449 1.762 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -65.67 -45.81 81.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.455 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 29.2 mt -69.86 -37.43 76.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.459 HG23 HD13 ' A' ' 56' ' ' LEU . 73.7 mt -71.07 -41.22 76.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 16' ' ' PRO . 52.2 m -68.93 -52.23 31.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.482 ' CG ' ' N ' ' A' ' 22' ' ' LEU . 9.3 ptm180 -57.26 -41.83 80.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 22' ' ' LEU . 2.5 tm? -66.31 -38.6 88.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.49 -31.34 70.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.6 ' O ' HG23 ' A' ' 28' ' ' THR . 22.7 t70 -60.99 -42.38 98.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.52 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 2.6 m -66.89 -37.63 84.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.775 HG22 ' HA ' ' A' ' 36' ' ' THR . 2.1 t -63.27 -43.6 98.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -65.71 -49.15 69.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.6 HG23 ' O ' ' A' ' 24' ' ' ASP . 41.0 p -65.35 -33.47 76.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.372 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.64 ' CB ' HG21 ' A' ' 35' ' ' ILE . 14.2 mmtt -81.36 -12.38 59.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.89 121.61 4.89 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.652 HD21 ' HZ ' ' A' ' 140' ' ' PHE . 1.1 tm? -66.12 -32.58 74.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -89.13 2.6 53.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.29 164.64 40.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.046 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -35.63 2.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.521 1.801 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.64 HG21 ' CB ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -50.31 -23.92 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.775 ' HA ' HG22 ' A' ' 26' ' ' VAL . 52.9 m -58.88 -49.72 76.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 38.6 mmt -64.7 -33.09 75.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.35 -52.33 28.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.624 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -60.09 -47.66 84.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 36' ' ' THR . 57.3 t -58.8 -49.41 82.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.634 ' HG3' HD22 ' A' ' 137' ' ' LEU . 20.4 mt-10 -60.36 -23.1 64.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -64.57 -55.02 23.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.584 HD11 HD21 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -72.88 -40.56 65.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.592 ' HB3' HG22 ' A' ' 133' ' ' THR . 16.1 mtt -76.11 -9.62 58.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 41' ' ' GLU . 5.3 m -33.79 -49.5 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.967 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 p -88.7 161.99 40.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.79 37.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.85 HD13 HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -146.51 -172.37 3.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.57 HD21 ' CB ' ' A' ' 121' ' ' ALA . 0.9 OUTLIER -92.4 164.95 20.82 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -25.97 11.29 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.485 1.782 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.465 ' O ' ' OG1' ' A' ' 54' ' ' THR . 14.7 m170 -67.6 -51.36 51.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 109.614 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.64 ' OD1' HD22 ' A' ' 48' ' ' LEU . 3.3 p30 -65.54 -30.72 71.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.85 HG23 HD13 ' A' ' 48' ' ' LEU . 2.2 t -56.41 -48.31 80.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.592 HG22 ' CH2' ' A' ' 69' ' ' TRP . 38.0 p -65.32 -49.79 68.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 110.401 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.468 ' ND2' ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -56.97 -41.83 79.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.584 HD21 HD11 ' A' ' 43' ' ' LEU . 5.7 tp -65.77 -52.64 49.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.554 ' HG2' ' CD1' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -57.1 -29.42 63.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 61' ' ' LEU . 14.0 ttt-85 -67.92 -36.24 79.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.6 t -74.93 -48.51 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.478 HG13 HD12 ' A' ' 56' ' ' LEU . 2.1 mt -70.12 -44.28 78.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 66' ' ' TYR . 1.5 tm? -107.34 128.5 54.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.426 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -42.63 161.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -25.06 12.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.506 1.793 . . . . 0.0 110.959 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.963 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.46 -59.24 3.27 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.963 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.03 -4.7 15.79 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.708 ' HA ' HD12 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -67.7 -41.38 83.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.058 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.78 -30.07 68.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.569 HD12 ' N ' ' A' ' 68' ' ' LEU . 3.9 mp -71.86 -38.99 69.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.592 ' CH2' HG22 ' A' ' 54' ' ' THR . 3.0 t90 -65.56 -37.74 87.56 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 45.0 tpp -59.29 -42.21 90.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -71.1 -46.44 61.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.24 72.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.524 ' HA ' ' HB2' ' A' ' 139' ' ' ALA . 19.5 t90 -63.9 -41.36 97.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 108.003 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.9 -46.62 93.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 15.2 t -66.19 -39.92 85.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -59.06 -45.62 90.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.632 ' CD2' HD13 ' A' ' 106' ' ' LEU . 3.8 mt -56.02 -46.31 78.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.751 ' HA ' HD13 ' A' ' 103' ' ' LEU . 64.3 mt-30 -63.2 -31.43 72.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -35.04 77.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.405 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.746 HG22 ' HE1' ' A' ' 90' ' ' HIS . 2.6 t -66.96 -34.87 72.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.645 HG13 HG23 ' A' ' 101' ' ' THR . 0.8 OUTLIER -78.01 -50.27 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.18 -37.25 76.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.53 ' HB3' ' NE2' ' A' ' 90' ' ' HIS . . . -65.4 -49.16 70.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.495 ' HB2' ' CB ' ' A' ' 90' ' ' HIS . . . -60.14 -48.47 81.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 m -60.42 -37.01 79.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.1 ttt-85 -75.09 -43.27 54.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -136.14 123.56 14.64 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 54.81 3.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.442 1.759 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -127.51 12.01 6.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.746 ' HE1' HG22 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -87.52 140.87 31.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.582 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -26.6 10.75 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.524 1.802 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.06 -12.47 60.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.645 HG23 HG13 ' A' ' 81' ' ' ILE . 5.1 t -77.08 170.01 17.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.443 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.18 148.84 26.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.751 HD13 ' HA ' ' A' ' 78' ' ' GLN . 6.9 tp -61.24 -30.34 70.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -64.75 -41.79 95.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -64.78 -45.43 86.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.669 HD21 ' HB2' ' A' ' 128' ' ' GLU . 10.3 mt -72.97 -15.96 61.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.407 ' CD ' ' O ' ' A' ' 103' ' ' LEU . 1.9 mptp? -70.88 -51.3 27.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.993 ' O ' HG13 ' A' ' 114' ' ' VAL . . . 116.6 10.48 10.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.146 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.4 tp -76.68 -3.02 35.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 0.758 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.57 ' HB3' ' CG ' ' A' ' 113' ' ' MET . . . -58.83 158.29 8.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.07 122.09 17.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 85.01 -11.11 61.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.899 ' SD ' HD21 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -78.87 -31.08 45.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 0.715 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.993 HG13 ' O ' ' A' ' 108' ' ' GLY . 0.0 OUTLIER -98.24 136.41 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.48 3.16 64.98 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -156.24 103.49 2.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -44.05 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -76.94 -34.05 57.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -71.18 -43.21 56.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.51 ' CB ' ' HA ' ' A' ' 113' ' ' MET . 7.9 pt20 -67.02 -43.58 82.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 0.791 . . . . 0.0 110.31 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.57 ' CB ' HD21 ' A' ' 49' ' ' LEU . . . -58.09 -30.9 66.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.12 -30.15 55.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.801 HD23 ' C ' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -84.38 -14.97 48.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.899 HD21 ' SD ' ' A' ' 113' ' ' MET . 40.6 mt -91.68 102.08 14.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.503 ' CD ' ' OE1' ' A' ' 128' ' ' GLU . 0.1 OUTLIER -46.96 159.37 0.38 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 107.76 2.56 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.484 1.781 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.87 -53.83 0.27 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.553 1.158 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.669 ' HB2' HD21 ' A' ' 106' ' ' LEU . 7.5 pm0 -66.66 -31.78 72.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 110.31 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.423 ' N ' ' HG2' ' A' ' 128' ' ' GLU . 27.8 mt -59.17 -40.18 84.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 44.4 t -67.88 -39.14 81.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.89 -39.38 71.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 43.8 mt -66.9 -39.97 84.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.592 HG22 ' HB3' ' A' ' 44' ' ' MET . 1.3 m -65.4 -49.77 68.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.76 -43.9 97.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 6.3 t -63.11 -38.21 90.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.003 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.32 -39.92 94.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.634 HD22 ' HG3' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -66.42 -39.9 89.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.63 -37.6 87.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.524 ' HB2' ' HA ' ' A' ' 73' ' ' TRP . . . -67.8 -33.23 74.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.652 ' HZ ' HD21 ' A' ' 31' ' ' LEU . 19.8 t80 -62.81 -62.11 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -53.02 -24.92 10.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -67.55 -39.0 84.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.432 HG21 ' N ' ' A' ' 69' ' ' TRP . 23.7 t -76.46 -43.08 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.5 -49.97 75.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' PRO . . . . . 0.564 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.846 0 N-CA-C 110.965 -0.437 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' TRP . . . . . 0.66 ' HA ' HD12 ' A' ' 156' ' ' ILE . 37.1 p90 -52.69 -27.46 17.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 108.02 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.49 -32.58 74.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -79.57 -18.52 51.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.88 HG22 ' CE1' ' A' ' 167' ' ' PHE . 9.7 mt -85.24 120.72 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.613 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 39.6 m -125.92 138.67 53.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . 0.567 ' HB2' ' CD2' ' A' ' 167' ' ' PHE . 6.7 tm0? -75.73 129.98 37.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -109.11 158.31 14.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -19.0 18.16 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.22 -31.45 33.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.587 1.179 . . . . 0.0 109.948 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.57 135.26 40.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.45 ' OG ' HG12 ' A' ' 165' ' ' VAL . 0.7 OUTLIER -57.66 142.13 46.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.548 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.8 OUTLIER -55.94 -49.43 73.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.897 HG23 HG21 ' A' ' 219' ' ' ILE . 0.8 OUTLIER -62.4 -36.24 73.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.1 -48.58 79.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.88 ' CE1' HG22 ' A' ' 156' ' ' ILE . 84.9 t80 -67.3 -32.99 74.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.473 ' O ' HD12 ' A' ' 172' ' ' ILE . . . -62.36 -34.24 76.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 165' ' ' VAL . 34.6 m-80 -68.31 -50.62 52.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 1.3 mtp-105 -60.33 -37.28 80.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.271 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.805 HD12 ' CE2' ' A' ' 167' ' ' PHE . 1.2 tt -70.85 -51.34 27.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' ' 168' ' ' ALA . 34.8 mt -57.27 -34.62 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.37 -37.53 77.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.498 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -69.06 -46.58 67.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 0.765 HG21 HG13 ' A' ' 189' ' ' ILE . 25.2 t -61.6 -45.5 98.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.03 -43.11 63.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -94.45 28.24 11.6 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.48 166.23 11.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 0.799 . . . . 0.0 109.993 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -94.43 86.35 4.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.553 HD11 ' CH2' ' A' ' 153' ' ' TRP . 21.5 mt -128.06 158.68 70.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.497 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.2 Cg_endo -74.98 161.9 38.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.792 . . . . 0.0 110.958 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 182' ' ' PRO . . . . . 0.516 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.2 Cg_endo -75.06 83.08 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.9 OUTLIER 158.81 -35.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.004 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.497 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -82.37 -9.9 59.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . 0.565 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 9.0 mtm180 -84.71 70.69 10.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.862 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 171.31 -55.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 187' ' ' PRO . . . . . 0.862 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -74.99 -26.58 10.81 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.449 1.763 . . . . 0.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 7.8 t -66.66 -36.01 76.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 189' ' ' ILE . . . . . 0.765 HG13 HG21 ' A' ' 175' ' ' VAL . 5.4 mt -68.8 -45.47 80.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 190' ' ' ILE . . . . . 0.86 HD11 ' C ' ' A' ' 214' ' ' THR . 66.3 mt -60.83 -35.83 67.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 191' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 195' ' ' GLN . 6.9 t70 -58.21 -48.09 81.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 11.5 m -53.15 -49.14 67.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.315 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 193' ' ' PHE . . . . . 0.7 ' CZ ' ' CG2' ' A' ' 189' ' ' ILE . 8.5 m-30 -54.75 -24.85 24.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 194' ' ' ARG . . . . . 0.501 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 10.8 ptt180 -124.48 29.91 6.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 191' ' ' ASP . 2.3 tm0? -114.43 -56.1 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 196' ' ' LYS . . . . . 0.452 ' HG2' HG23 ' A' ' 157' ' ' THR . 5.2 tttp -118.06 -39.14 3.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 197' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 198' ' ' GLN . 1.1 m -38.8 158.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.031 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 198' ' ' GLN . . . . . 0.41 ' O ' ' O ' ' A' ' 197' ' ' SER . 2.8 mp0 -42.89 166.34 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 199' ' ' PRO . . . . . 0.424 ' HA ' ' HG2' ' A' ' 202' ' ' GLN . 18.3 Cg_endo -75.05 -33.07 4.81 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.37 -34.79 78.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 17.7 mm -78.18 -45.68 26.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 202' ' ' GLN . . . . . 0.424 ' HG2' ' HA ' ' A' ' 199' ' ' PRO . 5.1 pt20 -65.68 -40.39 92.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 38.5 tp60 -62.93 -37.71 88.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . 0.801 HD21 ' CG ' ' A' ' 225' ' ' ARG . 0.3 OUTLIER -66.19 -49.1 68.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.541 ' O ' ' HB3' ' A' ' 208' ' ' ALA . 0.5 OUTLIER -62.6 -40.01 86.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -64.0 -36.86 85.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.255 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -86.82 4.0 42.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 208' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -67.76 158.45 83.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 209' ' ' PRO . . . . . 0.482 ' HG2' HD21 ' A' ' 212' ' ' LEU . 18.2 Cg_endo -75.02 155.09 42.83 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.537 1.809 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.26 1.46 44.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 97.2 m -84.97 -2.48 57.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 110.386 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 212' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 213' ' ' THR . 0.0 OUTLIER -145.57 138.13 25.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.351 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.0 OUTLIER -155.5 43.0 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.411 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 214' ' ' THR . . . . . 0.86 ' C ' HD11 ' A' ' 190' ' ' ILE . 0.4 OUTLIER -134.42 158.91 74.12 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.393 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 215' ' ' PRO . . . . . 0.581 ' HD3' ' CA ' ' A' ' 186' ' ' ALA . 18.4 Cg_endo -75.0 55.18 3.87 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.806 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -148.67 -62.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.71 -32.54 60.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.784 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 218' ' ' ILE . . . . . 0.609 HG12 HD13 ' A' ' 190' ' ' ILE . 1.4 mp -62.87 -51.21 74.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.359 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 219' ' ' ILE . . . . . 0.897 HG21 HG23 ' A' ' 165' ' ' VAL . 4.0 mt -62.26 -50.12 81.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -56.68 -33.74 66.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -74.21 -47.31 36.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.421 HG22 ' HB3' ' A' ' 204' ' ' LEU . 3.8 t -60.47 -49.78 82.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.478 HD11 ' CG2' ' A' ' 165' ' ' VAL . 54.9 mt -57.24 -40.74 78.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.78 -32.88 74.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 225' ' ' ARG . . . . . 0.801 ' CG ' HD21 ' A' ' 204' ' ' LEU . 3.1 tpt180 -74.32 -34.53 63.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.325 179.947 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.416 ' CG ' HD12 ' A' ' 18' ' ' LEU . 2.4 pm0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.427 ' O ' ' CB ' ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.08 -29.52 8.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.79 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -63.4 -50.92 67.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.433 ' N ' ' CG ' ' A' ' 17' ' ' LYS . 82.4 mt -69.75 -45.79 67.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.6 mt -59.26 -37.43 68.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.427 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 1.4 m -62.08 -38.43 88.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.381 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.53 -48.38 75.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.331 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.541 HD23 ' CD ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -66.53 -39.11 88.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.463 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -65.32 -34.65 78.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.776 ' O ' HG23 ' A' ' 28' ' ' THR . 0.3 OUTLIER -62.21 -47.94 82.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.519 HG22 ' OE1' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -59.62 -37.89 79.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.385 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.727 HG13 HG23 ' A' ' 36' ' ' THR . 9.1 t -59.63 -44.11 92.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.14 -48.65 72.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.776 HG23 ' O ' ' A' ' 24' ' ' ASP . 19.7 p -71.92 -15.65 62.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.581 ' CG ' HG21 ' A' ' 35' ' ' ILE . 23.0 mmtm -94.87 -14.74 24.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.88 127.46 3.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.681 ' CD1' HD23 ' A' ' 61' ' ' LEU . 1.1 mt -67.74 -19.05 65.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 0.769 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.2 ptt-85 -95.21 2.04 54.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 12.7 m -89.85 160.38 41.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.022 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -24.4 12.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.798 . . . . 0.0 110.999 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.581 HG21 ' CG ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -62.48 -31.27 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.727 HG23 HG13 ' A' ' 26' ' ' VAL . 3.3 m -66.5 -49.05 67.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.38 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 20.5 mmt -64.72 -38.03 89.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.26 -52.24 29.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.541 ' CD ' HD23 ' A' ' 22' ' ' LEU . 8.3 mt-10 -60.02 -47.29 86.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 36' ' ' THR . 53.0 t -61.3 -39.47 82.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.503 ' HG3' HD21 ' A' ' 137' ' ' LEU . 31.0 mt-10 -69.16 -24.66 64.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.342 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -66.49 -54.75 20.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.497 HD12 ' HG3' ' A' ' 44' ' ' MET . 0.9 OUTLIER -69.0 -48.05 64.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.527 ' HB3' HG22 ' A' ' 133' ' ' THR . 22.1 mtt -71.94 -10.79 60.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' GLU . 57.7 p -35.96 -37.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.19 165.14 14.11 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.66 12.54 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.518 1.799 . . . . 0.0 110.945 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.588 HD13 ' CG2' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -123.34 -174.3 2.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.939 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -88.7 162.6 38.36 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HB3' HD13 ' A' ' 132' ' ' ILE . 18.3 Cg_endo -75.0 -33.91 4.22 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.403 ' O ' ' OG1' ' A' ' 54' ' ' THR . 9.8 t-80 -68.11 -44.6 75.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.55 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 18.8 m-20 -64.27 -32.44 74.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.939 HG23 ' O ' ' A' ' 49' ' ' LEU . 38.3 t -56.43 -47.29 81.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 51' ' ' HIS . 61.0 p -67.54 -45.91 74.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.469 ' C ' ' ND2' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -57.55 -43.85 84.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.517 HD11 HD11 ' A' ' 60' ' ' ILE . 4.0 tp -68.13 -42.08 80.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.973 ' O ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -62.98 -31.23 72.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.411 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 16.1 ttt-85 -68.41 -36.77 79.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.9 t -70.9 -44.77 75.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.517 HD11 HD11 ' A' ' 56' ' ' LEU . 98.6 mt -72.38 -43.3 64.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.973 HD12 ' O ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -120.78 132.5 55.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.496 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -62.13 -166.63 0.53 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.452 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -74.94 -19.58 17.84 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.491 1.785 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.942 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.51 -58.75 3.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.942 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.0 4.51 4.68 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.453 1.765 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.452 ' HB2' ' HA ' ' A' ' 63' ' ' PRO . 2.8 t80 -77.67 -47.51 19.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.59 -30.0 70.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.788 ' HB3' HG22 ' A' ' 143' ' ' VAL . 6.0 mp -68.8 -46.54 68.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.751 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 27.8 t90 -70.68 -41.54 71.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 108.004 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 11.3 mmt -61.9 -38.1 87.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -68.79 -44.21 74.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.89 -28.69 62.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.259 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.751 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 16.8 t90 -71.69 -44.22 64.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 108.042 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.91 -45.31 92.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.38 -46.37 80.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 0.752 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.407 ' O ' ' HB ' ' A' ' 79' ' ' THR . 63.7 mm-40 -55.93 -45.98 78.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 77' ' ' LEU . 2.1 mt -60.73 -45.46 94.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -60.4 -30.21 69.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -67.73 -34.92 77.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.378 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.433 HG12 HD12 ' A' ' 81' ' ' ILE . 3.1 t -67.97 -46.95 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.719 HG13 HG23 ' A' ' 101' ' ' THR . 1.7 mp -66.56 -50.18 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.46 86.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 79' ' ' THR . . . -59.3 -49.24 78.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.537 ' HB1' ' OD1' ' A' ' 93' ' ' ASN . . . -60.48 -49.32 78.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 m -58.95 -29.07 66.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.395 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -74.78 -38.92 62.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -135.13 119.11 13.26 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 54.93 3.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.87 23.57 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 0.2 OUTLIER -87.11 141.69 33.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.573 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.2 Cg_endo -75.0 -22.09 15.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.463 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -75.49 -7.12 53.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.537 ' OD1' ' HB1' ' A' ' 84' ' ' ALA . 92.0 m-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.719 HG23 HG13 ' A' ' 81' ' ' ILE . 13.4 t -72.96 161.35 30.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.387 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.11 155.92 39.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.646 HD12 HD13 ' A' ' 81' ' ' ILE . 0.6 OUTLIER -62.93 -42.98 99.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.63 -39.03 86.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -45.97 92.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.579 HD12 HD11 ' A' ' 81' ' ' ILE . 23.8 mt -75.6 -16.5 60.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.39 -48.04 16.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.403 ' CA ' ' OE1' ' A' ' 120' ' ' GLN . . . 114.41 19.1 6.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.907 ' HA ' HG22 ' A' ' 114' ' ' VAL . 7.2 tp -91.62 6.35 46.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.624 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.66 162.01 4.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -61.15 125.16 22.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 77.8 -1.06 69.24 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.624 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 8.5 mtt -102.37 -21.49 14.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.769 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.907 HG22 ' HA ' ' A' ' 109' ' ' LEU . 10.7 t -69.75 125.3 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 78.83 -3.44 64.58 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -121.99 98.65 44.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -62.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.02 -43.93 70.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.53 -35.65 92.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.558 ' CD ' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -65.77 -42.06 91.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.786 . . . . 0.0 110.31 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.805 ' HB2' HD11 ' A' ' 49' ' ' LEU . . . -65.88 -35.83 81.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.02 -20.16 58.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.521 ' HA ' HD23 ' A' ' 123' ' ' LEU . 1.0 OUTLIER -86.95 -33.3 19.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.558 HD11 ' CD ' ' A' ' 120' ' ' GLN . 5.2 mt -78.94 148.72 32.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -73.62 157.74 87.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 108.24 2.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.31 -42.28 1.09 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.097 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.463 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 1.5 mt-10 -56.56 -34.68 67.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 0.753 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.42 -41.25 96.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 51.8 t -59.33 -39.78 79.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.74 -38.86 76.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.54 ' CG1' HD22 ' A' ' 106' ' ' LEU . 8.2 mt -69.05 -42.16 81.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.527 HG22 ' HB3' ' A' ' 44' ' ' MET . 1.7 m -63.26 -46.25 87.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.386 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.02 99.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 29.1 p -67.48 -33.72 75.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.987 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.18 -42.31 80.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.503 HD21 ' HG3' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -69.18 -36.38 77.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -66.92 -39.52 87.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.21 -30.79 69.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.411 ' CZ ' ' CG2' ' A' ' 36' ' ' THR . 2.4 t80 -65.56 -62.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 2.6 ptp85 -52.8 -26.08 13.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -72.53 -30.39 64.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.788 HG22 ' HB3' ' A' ' 68' ' ' LEU . 3.3 t -84.68 -31.35 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.21 -49.92 25.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' PRO . . . . . 0.462 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' TRP . . . . . 0.747 ' CH2' HD11 ' A' ' 180' ' ' LEU . 38.9 p90 -77.41 -19.3 56.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 108.005 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.83 -32.82 67.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -79.8 -19.22 49.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 153' ' ' TRP . 9.5 mt -84.17 121.0 36.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.596 ' O ' ' CE1' ' A' ' 167' ' ' PHE . 1.9 m -127.37 141.93 51.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . 0.555 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 2.9 tm0? -85.77 129.93 34.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . 0.433 ' N ' ' OE2' ' A' ' 162' ' ' GLU . . . -127.87 163.72 21.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -27.74 9.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.782 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 3.0 m -67.97 -29.36 68.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.433 ' OE2' ' N ' ' A' ' 159' ' ' GLY . 15.8 pt-20 -102.68 135.65 43.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.405 ' CB ' ' HB2' ' A' ' 166' ' ' ASP . 0.5 OUTLIER -57.3 133.05 54.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.003 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.45 ' CE2' ' CG1' ' A' ' 222' ' ' VAL . 2.4 t80 -55.84 -51.84 66.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.85 HG23 ' CG2' ' A' ' 219' ' ' ILE . 0.3 OUTLIER -62.68 -44.24 99.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.42 ' N ' ' CG1' ' A' ' 165' ' ' VAL . 45.9 m-20 -59.0 -47.83 83.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 157' ' ' THR . 84.4 t80 -64.58 -40.48 95.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.65 -39.76 71.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -63.42 -43.36 97.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -62.86 -37.53 87.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.599 HD11 ' HB3' ' A' ' 192' ' ' CYS . 0.4 OUTLIER -71.3 -45.87 62.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.51 HG12 HD13 ' A' ' 189' ' ' ILE . 23.0 mt -61.25 -38.9 80.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -68.96 -37.44 78.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.497 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -68.51 -41.04 80.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 0.579 HG13 HD12 ' A' ' 180' ' ' LEU . 37.7 t -69.4 -45.25 79.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -55.6 -33.69 64.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -98.55 19.8 52.95 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 25.5 p -112.89 165.81 11.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -93.51 88.8 6.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.747 HD11 ' CH2' ' A' ' 153' ' ' TRP . 16.9 mt -126.57 155.01 75.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.593 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.4 Cg_endo -74.99 162.79 36.57 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 75.67 3.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.792 . . . . 0.0 110.967 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 167.44 -31.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.974 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.593 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -81.49 -11.93 59.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 7.7 mtm180 -84.43 70.52 10.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.918 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 175.6 -57.4 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 187' ' ' PRO . . . . . 0.918 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.4 Cg_endo -74.98 -29.94 7.73 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 24.5 t -65.2 -41.08 90.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 189' ' ' ILE . . . . . 0.51 HD13 HG12 ' A' ' 172' ' ' ILE . 39.1 mt -66.32 -48.06 82.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 190' ' ' ILE . . . . . 0.668 HD11 ' C ' ' A' ' 214' ' ' THR . 29.6 mt -65.61 -41.92 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 191' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' A' ' 191' ' ' ASP . 31.9 t0 -59.62 -40.56 87.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 192' ' ' CYS . . . . . 0.599 ' HB3' HD11 ' A' ' 171' ' ' LEU . 24.4 m -53.9 -48.5 70.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 193' ' ' PHE . . . . . 0.494 ' CZ ' HG22 ' A' ' 189' ' ' ILE . 7.2 m-30 -53.34 -45.1 68.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 194' ' ' ARG . . . . . 0.655 ' HB3' HG21 ' A' ' 205' ' ' ILE . 0.1 OUTLIER -96.01 20.37 10.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -102.16 -33.9 9.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.09 72.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 197' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 198' ' ' GLN . 4.8 p -147.37 157.04 43.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 198' ' ' GLN . . . . . 0.506 ' HB2' ' HD2' ' A' ' 199' ' ' PRO . 0.3 OUTLIER -39.29 162.35 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 199' ' ' PRO . . . . . 0.506 ' HD2' ' HB2' ' A' ' 198' ' ' GLN . 18.4 Cg_endo -75.03 -30.6 6.95 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.497 1.788 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -45.29 85.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.514 ' CD1' HG11 ' A' ' 222' ' ' VAL . 2.8 mm -74.96 -45.75 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -59.28 -40.46 86.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . 0.408 ' OE1' ' HB2' ' A' ' 207' ' ' ALA . 2.8 tp-100 -64.67 -33.48 76.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . 0.904 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.5 OUTLIER -70.33 -48.88 54.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.655 HG21 ' HB3' ' A' ' 194' ' ' ARG . 0.2 OUTLIER -63.28 -39.1 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -64.44 -42.78 95.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 207' ' ' ALA . . . . . 0.408 ' HB2' ' OE1' ' A' ' 203' ' ' GLN . . . -78.17 -0.26 27.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 208' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -59.92 151.11 66.16 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 209' ' ' PRO . . . . . 0.528 ' HD2' HD12 ' A' ' 212' ' ' LEU . 18.2 Cg_endo -74.96 146.83 33.32 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 110.984 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 12.9 m -69.33 61.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 13.5 m -156.74 -38.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.433 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 212' ' ' LEU . . . . . 0.746 ' O ' HG23 ' A' ' 213' ' ' THR . 1.6 mt -74.03 124.01 25.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.4 p -161.3 32.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.428 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 214' ' ' THR . . . . . 0.668 ' C ' HD11 ' A' ' 190' ' ' ILE . 7.0 p -127.61 153.21 77.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.431 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.21 3.89 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -164.78 -51.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -71.5 -32.71 68.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 218' ' ' ILE . . . . . 0.567 HG21 HG23 ' A' ' 190' ' ' ILE . 50.8 mm -68.64 -51.7 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 219' ' ' ILE . . . . . 0.85 ' CG2' HG23 ' A' ' 165' ' ' VAL . 3.9 mt -63.85 -43.35 97.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -62.43 -44.48 96.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.458 ' CZ ' HD23 ' A' ' 204' ' ' LEU . 5.9 t80 -64.37 -50.47 67.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.514 HG11 ' CD1' ' A' ' 201' ' ' ILE . 2.7 t -60.29 -44.9 96.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.533 HD11 ' CG2' ' A' ' 165' ' ' VAL . 13.2 mt -61.49 -40.62 95.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -62.98 -51.25 67.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 225' ' ' ARG . . . . . 0.904 ' HB3' HD11 ' A' ' 204' ' ' LEU . 5.7 tpt180 -62.63 -35.16 78.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.553 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 15' ' ' GLU . 18.2 Cg_endo -75.02 -34.67 3.63 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.545 ' HG3' HD23 ' A' ' 18' ' ' LEU . 1.7 pttm -71.11 -47.79 56.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.545 HD23 ' HG3' ' A' ' 17' ' ' LYS . 12.1 mt -65.93 -43.31 88.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.832 HG21 HD12 ' A' ' 56' ' ' LEU . 35.9 mt -58.68 -37.12 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.363 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.0 m -61.77 -39.67 92.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -48.8 73.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.638 HD21 ' HG3' ' A' ' 39' ' ' GLU . 1.5 tt -65.13 -37.93 89.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.615 ' HB2' HG12 ' A' ' 60' ' ' ILE . . . -66.69 -34.51 78.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.491 ' O ' ' CG ' ' A' ' 27' ' ' ARG . 2.7 m-20 -62.21 -33.09 73.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.512 HG23 ' HG3' ' A' ' 29' ' ' LYS . 1.1 m -71.31 -36.22 71.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.415 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.799 ' CG1' HG23 ' A' ' 36' ' ' THR . 68.8 t -65.03 -51.47 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.648 ' HG3' HG23 ' A' ' 28' ' ' THR . 0.7 OUTLIER -56.74 -34.21 67.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.648 HG23 ' HG3' ' A' ' 27' ' ' ARG . 28.1 p -87.21 -22.76 25.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.428 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.564 ' HB3' HG21 ' A' ' 35' ' ' ILE . 5.3 mmtm -95.68 9.64 39.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.64 126.01 0.02 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.491 HD23 ' CE1' ' A' ' 140' ' ' PHE . 3.9 mp -67.58 -34.88 77.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.63 2.28 56.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.285 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -92.36 161.54 32.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.507 ' O ' ' CG1' ' A' ' 35' ' ' ILE . 18.4 Cg_endo -75.0 98.41 1.16 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.491 1.785 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.564 HG21 ' HB3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER 163.64 -31.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.799 HG23 ' CG1' ' A' ' 26' ' ' VAL . 66.7 m -59.24 -47.81 83.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.385 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.501 ' SD ' HD23 ' A' ' 137' ' ' LEU . 16.8 mmt -64.58 -38.07 89.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.64 -52.62 43.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.638 ' HG3' HD21 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -61.25 -47.48 85.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 36' ' ' THR . 59.9 t -59.97 -45.76 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 45' ' ' SER . 18.6 mt-10 -67.5 -23.79 65.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.258 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -60.58 -55.39 33.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.833 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -72.51 -49.68 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.505 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 24.4 mtt -65.85 -10.69 40.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 111.029 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 41' ' ' GLU . 11.0 t -36.8 -33.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -107.34 162.67 18.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.011 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 149.68 37.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.749 HD13 HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -150.35 173.01 14.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.645 ' N ' HD23 ' A' ' 49' ' ' LEU . 1.7 mt -74.55 161.58 77.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HB3' HG21 ' A' ' 132' ' ' ILE . 18.2 Cg_endo -74.97 -26.6 10.81 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.502 1.791 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.465 ' O ' ' OG1' ' A' ' 54' ' ' THR . 0.5 OUTLIER -67.95 -48.01 67.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.597 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.68 -31.09 72.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.749 HG23 HD13 ' A' ' 48' ' ' LEU . 2.0 t -54.27 -47.72 68.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 51' ' ' HIS . 76.7 p -67.0 -40.14 87.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -62.57 -42.9 99.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.833 HD21 ' CD1' ' A' ' 43' ' ' LEU . 3.9 tp -70.99 -44.47 65.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.562 ' HG2' ' CZ2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -63.77 -28.59 69.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 61' ' ' LEU . 2.7 tmt_? -71.3 -36.3 71.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.2 t -75.5 -48.1 31.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.615 HG12 ' HB2' ' A' ' 23' ' ' ALA . 8.5 mt -73.5 -44.41 53.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 57' ' ' MET . 0.1 OUTLIER -99.92 132.92 44.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.462 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -59.5 172.56 4.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.452 ' O ' ' CB ' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.04 -42.91 0.43 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.492 1.785 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.845 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -61.3 -54.52 52.32 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.845 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.0 6.73 3.22 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.509 1.794 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.452 ' CB ' ' O ' ' A' ' 63' ' ' PRO . 5.2 t80 -75.05 -45.67 40.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.5 -29.69 68.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.791 ' HB3' HG22 ' A' ' 143' ' ' VAL . 7.0 mp -67.09 -47.12 72.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.581 ' HZ3' ' HE2' ' A' ' 70' ' ' MET . 25.1 t90 -70.6 -43.46 69.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 108.023 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.581 ' HE2' ' HZ3' ' A' ' 69' ' ' TRP . 0.4 OUTLIER -59.27 -37.02 76.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -70.89 -46.22 62.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.93 -28.8 66.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.532 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 15.0 t90 -66.85 -44.59 80.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 108.006 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.61 -41.16 93.48 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.18 -47.07 79.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.414 ' O ' ' HB ' ' A' ' 79' ' ' THR . 1.5 mp0 -58.6 -45.89 88.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.757 ' CD2' HD13 ' A' ' 106' ' ' LEU . 2.4 mt -60.7 -46.57 89.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -58.85 -36.69 74.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 76' ' ' GLN . 1.0 OUTLIER -59.46 -36.11 75.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.395 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.56 HG11 HD11 ' A' ' 106' ' ' LEU . 2.2 t -71.01 -34.72 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.468 HG13 ' CD1' ' A' ' 103' ' ' LEU . 29.4 mm -71.6 -45.6 66.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.65 -44.0 83.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.44 -45.64 80.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.476 ' HA ' ' CD2' ' A' ' 90' ' ' HIS . . . -68.09 -40.43 82.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.2 m -60.27 -38.39 83.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.413 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -75.07 -43.02 55.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.52 107.48 60.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.444 ' O ' ' CG ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.95 53.98 3.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 88' ' ' PRO . 34.6 mtp180 -160.78 26.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.476 ' CD2' ' HA ' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -78.28 145.15 67.97 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.621 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.405 ' HD2' ' ND1' ' A' ' 90' ' ' HIS . 18.5 Cg_endo -74.94 -21.95 15.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.489 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -73.95 -7.13 51.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.936 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.427 ' CG2' ' HB3' ' A' ' 84' ' ' ALA . 13.0 t -72.72 140.89 48.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -127.3 155.19 43.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.468 ' CD1' HG13 ' A' ' 81' ' ' ILE . 5.2 tp -63.36 -37.83 88.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.65 -42.59 99.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -46.43 89.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.757 HD13 ' CD2' ' A' ' 77' ' ' LEU . 6.0 mt -70.85 -21.58 62.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -61.04 -51.51 68.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.361 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.44 ' HA2' ' CE ' ' A' ' 113' ' ' MET . . . 108.51 18.37 9.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.771 ' HA ' HG22 ' A' ' 114' ' ' VAL . 3.8 tp -105.21 5.97 32.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.817 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.87 129.2 41.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -46.26 134.51 8.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.29 -18.59 57.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.817 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 36.2 mtp -101.18 -33.32 10.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.771 HG22 ' HA ' ' A' ' 109' ' ' LEU . 2.4 t -70.62 124.61 27.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.24 3.08 65.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -146.6 101.4 4.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.412 ' O ' HD11 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.98 -44.92 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -76.49 -26.76 55.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -75.92 -42.5 25.02 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.459 ' CD ' HD13 ' A' ' 49' ' ' LEU . 14.4 pt20 -66.29 -38.64 88.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.742 . . . . 0.0 110.338 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 120' ' ' GLN . . . -63.41 -39.51 94.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.21 -22.05 52.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.462 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -79.04 -42.21 27.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.517 HD21 ' CE ' ' A' ' 113' ' ' MET . 1.4 mt -73.39 -169.87 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -118.22 157.31 49.32 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 108.24 2.67 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.26 -45.1 0.81 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.489 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 8.3 mt-10 -56.93 -37.89 72.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.829 ' HA ' HD12 ' A' ' 132' ' ' ILE . 1.4 mt -60.52 -45.91 92.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.2 t -59.23 -39.8 79.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.71 86.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.829 HD12 ' HA ' ' A' ' 129' ' ' LEU . 6.4 mt -69.22 -38.92 78.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.42 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 5.9 m -64.59 -48.91 73.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.432 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.37 -48.14 76.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.2 m -60.36 -34.71 74.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.81 -43.12 76.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.505 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -65.7 -40.34 92.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -62.6 -36.88 84.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.42 -27.96 66.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.517 ' CE2' HD23 ' A' ' 61' ' ' LEU . 1.6 t80 -68.37 -50.26 54.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.132 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.426 ' HG3' ' HE3' ' A' ' 37' ' ' MET . 5.4 mtp180 -61.86 -25.07 67.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -72.51 -35.44 68.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.269 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.791 HG22 ' HB3' ' A' ' 68' ' ' LEU . 30.2 t -81.25 -43.52 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.35 -50.04 75.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' PRO . . . . . 0.44 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' TRP . . . . . 0.813 ' HA ' HD12 ' A' ' 156' ' ' ILE . 27.2 p90 -51.9 -27.39 12.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 108.008 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.91 -32.66 73.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.4 -22.03 41.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.813 HD12 ' HA ' ' A' ' 153' ' ' TRP . 12.8 mt -82.99 120.71 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.616 ' C ' ' CE2' ' A' ' 167' ' ' PHE . 1.5 m -130.49 132.14 45.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.401 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . 0.644 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 0.1 OUTLIER -62.0 121.89 14.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -122.72 156.47 17.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.15 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.78 18.36 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.482 1.78 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 59.6 p -78.98 -23.39 44.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 0.0 110.04 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -113.93 135.64 53.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.39 133.44 55.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.596 ' O ' ' HB2' ' A' ' 168' ' ' ALA . 1.9 t80 -55.85 -39.71 71.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 111.043 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.983 ' CG2' HD11 ' A' ' 223' ' ' LEU . 0.9 OUTLIER -70.99 -52.11 30.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.15 -49.0 75.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.664 ' CE2' HG22 ' A' ' 156' ' ' ILE . 5.2 t80 -68.29 -33.59 74.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 164' ' ' PHE . . . -61.95 -51.02 69.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . 0.522 ' HA ' HG12 ' A' ' 172' ' ' ILE . 75.3 m-20 -52.61 -42.6 64.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.243 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -56.82 -36.54 70.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.591 HD21 ' HB2' ' A' ' 153' ' ' TRP . 0.2 OUTLIER -69.06 -32.25 71.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.838 ' CD1' HG21 ' A' ' 189' ' ' ILE . 2.1 mm -68.42 -43.67 83.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 176' ' ' GLU . 0.0 OUTLIER -67.27 -33.87 76.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.22 -52.87 16.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 0.918 HG12 ' HG3' ' A' ' 185' ' ' ARG . 70.1 t -60.42 -49.17 85.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 173' ' ' LYS . 0.3 OUTLIER -64.98 -31.85 73.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -97.1 23.85 33.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 80.3 p -122.37 166.3 14.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.983 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -80.34 65.32 5.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.673 HD11 ' CZ3' ' A' ' 153' ' ' TRP . 15.2 mt -111.54 155.21 43.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.4 Cg_endo -75.0 159.71 41.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.781 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 57.47 4.57 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 20.7 t -167.79 -41.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.038 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.644 ' HB1' HG21 ' A' ' 188' ' ' VAL . . . -71.13 -11.35 60.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . 0.918 ' HG3' HG12 ' A' ' 175' ' ' VAL . 0.6 OUTLIER -80.88 65.19 5.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 110.346 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.953 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 179.09 -59.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 187' ' ' PRO . . . . . 0.953 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.1 Cg_endo -75.04 -28.53 9.02 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.644 HG21 ' HB1' ' A' ' 184' ' ' ALA . 66.5 t -67.44 -38.9 81.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 189' ' ' ILE . . . . . 0.838 HG21 ' CD1' ' A' ' 172' ' ' ILE . 7.7 mt -67.5 -48.61 76.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 190' ' ' ILE . . . . . 0.735 HD11 ' C ' ' A' ' 214' ' ' THR . 63.8 mt -66.02 -35.88 76.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.175 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -40.15 89.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 24.0 m -54.24 -43.65 71.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.316 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 193' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -59.4 -50.35 74.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 194' ' ' ARG . . . . . 0.62 ' HB3' HG21 ' A' ' 205' ' ' ILE . 0.0 OUTLIER -87.18 19.71 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -106.39 -32.31 8.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.253 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.57 73.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 197' ' ' SER . . . . . . . . . . . . . 38.3 p -142.8 163.1 33.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 198' ' ' GLN . . . . . 0.41 ' O ' ' CB ' ' A' ' 202' ' ' GLN . 2.4 mp0 -43.79 167.07 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -37.35 2.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -49.14 70.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 8.4 mm -68.99 -35.99 71.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 202' ' ' GLN . . . . . 0.42 ' NE2' ' HB2' ' A' ' 194' ' ' ARG . 9.7 tp60 -70.43 -48.53 55.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -61.41 -27.86 68.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . 0.67 HD23 ' CE2' ' A' ' 221' ' ' TYR . 0.2 OUTLIER -67.28 -51.09 57.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.62 HG21 ' HB3' ' A' ' 194' ' ' ARG . 0.5 OUTLIER -65.54 -44.09 94.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -62.86 -33.26 74.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -91.59 -5.57 53.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 208' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -64.41 155.65 79.67 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 209' ' ' PRO . . . . . 0.709 ' HB2' HG22 ' A' ' 211' ' ' THR . 18.3 Cg_endo -74.99 146.91 33.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 1.5 p -66.12 -9.73 34.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . 0.858 HG23 ' CD2' ' A' ' 212' ' ' LEU . 14.9 t -72.74 -12.28 60.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.432 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 212' ' ' LEU . . . . . 0.884 ' O ' HG23 ' A' ' 213' ' ' THR . 1.0 OUTLIER -111.36 135.27 52.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . 0.884 HG23 ' O ' ' A' ' 212' ' ' LEU . 0.7 OUTLIER -167.13 30.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.38 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 214' ' ' THR . . . . . 0.735 ' C ' HD11 ' A' ' 190' ' ' ILE . 14.6 p -129.19 154.58 80.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 55.02 3.82 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.46 1.768 . . . . 0.0 111.041 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -161.3 -51.23 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 217' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 217' ' ' GLU . 0.8 OUTLIER -73.67 -34.27 64.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 110.323 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 218' ' ' ILE . . . . . 0.476 HG12 HD13 ' A' ' 190' ' ' ILE . 1.1 mp -63.09 -44.83 99.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 219' ' ' ILE . . . . . 0.589 HG23 ' CE2' ' A' ' 164' ' ' PHE . 4.4 mt -73.75 -45.27 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.36 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -56.7 -38.04 71.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.67 ' CE2' HD23 ' A' ' 204' ' ' LEU . 7.1 t80 -74.23 -45.46 47.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.501 ' HA ' HD22 ' A' ' 204' ' ' LEU . 2.6 t -59.75 -49.47 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.983 HD11 ' CG2' ' A' ' 165' ' ' VAL . 78.4 mt -61.53 -42.53 98.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.58 -31.02 71.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 225' ' ' ARG . . . . . 0.549 ' CB ' HD21 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -79.68 -37.65 35.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . 0.554 HE21 HD23 ' A' ' 223' ' ' LEU . 33.3 mt-30 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.539 ' OE2' ' CD1' ' A' ' 18' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.78 2.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -58.61 -46.47 86.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.539 ' CD1' ' OE2' ' A' ' 15' ' ' GLU . 56.1 mt -70.31 -48.28 57.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.624 HG23 ' CD1' ' A' ' 56' ' ' LEU . 46.1 mt -57.62 -41.01 78.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -69.38 -38.08 77.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.397 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -64.69 -49.43 70.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.352 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.465 HD13 ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -67.57 -42.71 82.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.424 ' CB ' HG12 ' A' ' 59' ' ' VAL . . . -59.87 -34.62 73.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -62.78 -44.71 95.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.492 HG22 ' CD ' ' A' ' 39' ' ' GLU . 1.3 m -62.44 -37.42 85.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.454 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.865 HG13 ' OG1' ' A' ' 36' ' ' THR . 55.9 t -58.29 -41.64 81.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.1 ttm-85 -67.03 -48.8 67.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.5 p -69.65 -21.28 63.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HB3' ' CG2' ' A' ' 35' ' ' ILE . 17.8 mmtt -94.76 -13.95 25.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.87 122.16 3.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.512 HD21 ' CE1' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -66.72 -23.9 66.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.771 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.39 2.35 56.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.78 165.47 22.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.968 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -40.04 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.502 1.79 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -47.38 -31.6 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.865 ' OG1' HG13 ' A' ' 26' ' ' VAL . 1.2 m -62.57 -49.09 76.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.389 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -40.11 95.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.05 -45.44 73.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.56 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 11.0 mt-10 -61.68 -47.86 83.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.663 HG22 HD13 ' A' ' 60' ' ' ILE . 35.4 t -59.95 -44.98 95.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.5 mt-10 -66.97 -23.67 65.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -62.55 -55.49 26.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.728 HD11 HD21 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -72.87 -42.58 63.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.513 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 29.6 mtt -71.89 -10.29 59.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 41' ' ' GLU . 94.3 p -37.42 -31.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -108.1 165.95 11.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 149.43 36.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.798 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.538 HD13 ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -150.33 165.61 32.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.812 ' O ' HG23 ' A' ' 53' ' ' VAL . 10.5 mt -67.67 163.33 49.59 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.02 -31.19 6.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.79 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.443 ' O ' ' OG1' ' A' ' 54' ' ' THR . 2.5 t60 -67.87 -42.37 81.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.608 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.52 -31.15 72.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 49' ' ' LEU . 55.3 t -59.36 -47.61 89.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.532 ' CG2' ' HE1' ' A' ' 70' ' ' MET . 16.1 p -66.51 -38.81 88.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -43.62 90.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.728 HD21 HD11 ' A' ' 43' ' ' LEU . 6.6 tp -66.32 -50.66 62.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.583 ' SD ' HD21 ' A' ' 61' ' ' LEU . 11.6 mmt -57.09 -42.33 80.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 111.045 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 61' ' ' LEU . 3.5 ttt180 -56.3 -36.2 68.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.469 HG11 HG22 ' A' ' 19' ' ' ILE . 53.5 t -75.15 -46.32 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.663 HD13 HG22 ' A' ' 40' ' ' VAL . 35.6 mt -63.71 -44.43 98.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.749 HD22 ' CE1' ' A' ' 140' ' ' PHE . 0.5 OUTLIER -122.12 131.74 54.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.586 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -50.14 -176.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.451 1.095 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.455 ' HA ' ' HB3' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.97 -24.82 12.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.539 1.81 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.899 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -64.64 -56.39 22.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.899 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.97 -22.18 15.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.548 ' CZ ' ' SD ' ' A' ' 70' ' ' MET . 3.4 t80 -54.75 -45.06 74.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.66 -30.14 71.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.845 ' HB3' HG22 ' A' ' 143' ' ' VAL . 8.8 mp -70.94 -37.48 72.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.721 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 7.8 t90 -71.27 -34.44 70.69 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.548 ' SD ' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -65.86 -37.45 86.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -67.15 -47.35 71.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.17 -43.44 82.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.721 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 12.8 t90 -54.52 -38.61 66.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 108.003 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.67 -44.63 97.65 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.537 1.148 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.6 t -68.58 -46.99 79.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.417 ' O ' ' HB ' ' A' ' 79' ' ' THR . 2.2 mp0 -57.53 -46.26 84.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.767 ' CD2' HD13 ' A' ' 106' ' ' LEU . 4.4 mt -60.53 -45.81 92.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.521 ' HA ' HD13 ' A' ' 103' ' ' LEU . 58.1 mt-30 -62.61 -29.23 70.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.509 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 0.8 OUTLIER -64.99 -34.83 79.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.381 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 37.6 t -68.11 -50.71 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.971 HG13 HG23 ' A' ' 101' ' ' THR . 1.6 mp -63.17 -49.95 81.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.55 -39.51 84.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 79' ' ' THR . . . -58.7 -48.18 81.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.64 ' HB2' ' CB ' ' A' ' 90' ' ' HIS . . . -65.74 -40.29 91.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.5 m -61.12 -39.82 91.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -74.97 -43.35 54.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -132.9 120.82 16.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.89 3.77 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 111.017 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.03 6.36 6.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.64 ' CB ' ' HB2' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -85.26 134.11 41.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.613 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.462 ' O ' ' NH2' ' A' ' 125' ' ' ARG . 18.1 Cg_endo -75.0 -21.09 16.21 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.9 -16.1 26.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.45 ' O ' ' OD1' ' A' ' 93' ' ' ASN . 46.3 p-10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.971 HG23 HG13 ' A' ' 81' ' ' ILE . 14.4 t -71.26 164.45 25.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.361 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -144.35 151.05 38.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.676 HD11 ' HB3' ' A' ' 77' ' ' LEU . 6.1 tp -63.88 -45.93 87.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.496 ' HA ' ' CG ' ' A' ' 107' ' ' LYS . 0.2 OUTLIER -55.26 -37.63 67.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -36.34 61.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.767 HD13 ' CD2' ' A' ' 77' ' ' LEU . 69.8 mt -87.65 -26.17 23.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.496 ' CG ' ' HA ' ' A' ' 104' ' ' ASP . 9.0 mmtt -50.05 -43.81 51.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 101.78 -1.91 52.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.438 1.087 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.618 ' HA ' HG22 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -81.71 3.96 23.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 0.796 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.788 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.13 132.98 55.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.38 123.77 9.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.088 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.08 -17.8 58.62 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.54 1.15 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.788 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 26.0 mtp -101.67 -5.15 25.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 0.742 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.618 HG22 ' HA ' ' A' ' 109' ' ' LEU . 2.1 t -96.18 128.95 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 76.93 3.16 80.06 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.472 1.108 . . . . 0.0 111.03 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -129.3 110.98 18.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -80.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -54.98 -33.45 62.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.92 -42.09 95.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.486 ' HG3' HD21 ' A' ' 124' ' ' LEU . 25.3 tt0 -62.53 -44.91 95.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.59 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -65.62 -28.96 69.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.94 -14.34 59.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.742 HD13 ' HG3' ' A' ' 113' ' ' MET . 0.8 OUTLIER -89.04 -20.79 23.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.486 HD21 ' HG3' ' A' ' 120' ' ' GLN . 0.2 OUTLIER -124.82 127.42 47.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.462 ' NH2' ' O ' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -55.73 159.74 4.86 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.243 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 125' ' ' ARG . 18.4 Cg_endo -74.99 107.85 2.58 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.488 1.783 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 171.42 -45.03 0.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.684 ' HG2' HD21 ' A' ' 106' ' ' LEU . 1.6 mt-10 -62.22 -31.8 72.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.288 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.595 ' CD2' HD23 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -60.71 -43.5 97.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.43 -39.8 80.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.36 96.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.59 HD12 ' HA ' ' A' ' 129' ' ' LEU . 13.5 mt -69.41 -38.67 77.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.469 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 32.0 m -67.89 -39.7 83.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.417 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.6 -46.1 70.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.1 m -66.91 -33.73 76.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.71 -42.62 97.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.513 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -69.49 -34.02 73.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -69.66 -41.3 75.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.9 -33.54 74.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.749 ' CE1' HD22 ' A' ' 61' ' ' LEU . 8.0 t80 -64.52 -60.57 2.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -52.84 -24.9 9.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -69.91 -40.21 75.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.845 HG22 ' HB3' ' A' ' 68' ' ' LEU . 4.9 t -72.35 -35.89 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -70.12 -49.92 45.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.351 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 155' ' ' ASP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' TRP . . . . . 0.836 ' HA ' HD12 ' A' ' 156' ' ' ILE . 5.6 p90 -51.6 -31.92 26.81 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.66 -32.77 73.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 152' ' ' PRO . 0.5 OUTLIER -79.72 -21.79 44.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.88 HG22 ' CE1' ' A' ' 167' ' ' PHE . 17.2 mt -82.1 120.85 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.601 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 21.8 p -125.22 145.01 50.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . 0.582 ' CG ' ' CD2' ' A' ' 167' ' ' PHE . 0.1 OUTLIER -85.96 129.44 34.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -126.1 166.25 18.95 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -27.51 9.9 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.447 1.762 . . . . 0.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.35 -23.11 60.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.586 1.179 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -108.52 135.12 50.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.94 135.08 56.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.62 ' CE2' HG23 ' A' ' 219' ' ' ILE . 1.7 t80 -56.52 -49.22 75.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.972 HG23 HG21 ' A' ' 219' ' ' ILE . 0.5 OUTLIER -66.92 -42.43 88.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -58.14 -47.9 81.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.896 ' CZ ' HD12 ' A' ' 171' ' ' LEU . 12.9 t80 -67.34 -42.74 83.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.47 -34.12 64.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -67.28 -51.44 52.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -37.39 77.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.896 HD12 ' CZ ' ' A' ' 167' ' ' PHE . 3.8 tt -70.28 -45.62 65.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.625 HG12 HD13 ' A' ' 189' ' ' ILE . 37.4 mt -59.41 -49.25 84.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -37.72 77.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.514 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -65.59 -51.78 57.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 0.552 HG23 HD23 ' A' ' 171' ' ' LEU . 48.5 t -57.27 -47.91 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.447 ' OE1' HG22 ' A' ' 172' ' ' ILE . 28.6 mt-10 -54.32 -36.45 63.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.244 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -99.94 32.62 7.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 60.0 p -124.67 165.86 17.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.767 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 36.0 p-10 -84.58 85.66 7.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.631 HD11 ' CH2' ' A' ' 153' ' ' TRP . 13.0 mt -130.75 152.4 80.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.599 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.3 Cg_endo -74.97 162.18 37.61 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 72.7 4.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.29 -33.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.599 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -80.65 -11.71 59.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 45.8 mtp180 -84.21 70.05 10.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.896 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 175.46 -57.39 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 187' ' ' PRO . . . . . 0.896 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.4 Cg_endo -74.98 -26.91 10.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.455 1.766 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 184' ' ' ALA . 72.9 t -67.94 -40.29 83.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 189' ' ' ILE . . . . . 0.625 HD13 HG12 ' A' ' 172' ' ' ILE . 23.7 mt -66.96 -48.23 80.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 190' ' ' ILE . . . . . 0.736 HD11 ' C ' ' A' ' 214' ' ' THR . 68.6 mt -65.65 -43.01 93.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 191' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 195' ' ' GLN . 50.6 t0 -63.27 -38.1 89.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 192' ' ' CYS . . . . . 0.415 ' HA ' ' HB2' ' A' ' 195' ' ' GLN . 12.4 m -53.32 -46.21 69.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 108.33 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 193' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -57.74 -48.92 78.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.91 16.73 4.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 191' ' ' ASP . 0.0 OUTLIER -96.82 -48.21 5.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 110.334 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm -156.01 67.56 0.61 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 197' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 198' ' ' GLN . 2.3 m -141.95 165.31 27.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 198' ' ' GLN . . . . . 0.431 ' HG2' ' HB ' ' A' ' 201' ' ' ILE . 0.0 OUTLIER -36.66 154.2 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -34.2 4.04 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.519 1.8 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.99 -50.73 72.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.699 HD12 HG11 ' A' ' 222' ' ' VAL . 3.9 mm -69.33 -45.57 78.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -58.94 -40.98 86.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . 0.439 ' OE1' ' HB2' ' A' ' 207' ' ' ALA . 2.6 tp-100 -65.27 -38.85 91.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . 0.829 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.5 OUTLIER -63.78 -49.07 74.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.451 ' O ' ' HB3' ' A' ' 208' ' ' ALA . 0.5 OUTLIER -63.92 -39.68 86.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -63.83 -33.85 76.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 207' ' ' ALA . . . . . 0.439 ' HB2' ' OE1' ' A' ' 203' ' ' GLN . . . -89.96 4.91 48.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 208' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -62.39 155.53 66.58 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 209' ' ' PRO . . . . . 0.685 ' HG2' HD11 ' A' ' 212' ' ' LEU . 18.3 Cg_endo -75.04 155.48 42.75 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.435 1.755 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.18 23.93 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.966 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 2.5 m -111.6 -3.15 15.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 212' ' ' LEU . . . . . 0.694 ' O ' HG23 ' A' ' 213' ' ' THR . 0.4 OUTLIER -148.2 140.33 24.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 212' ' ' LEU . 2.3 p -160.09 45.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.43 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 214' ' ' THR . . . . . 0.736 ' C ' HD11 ' A' ' 190' ' ' ILE . 82.6 p -119.44 157.49 51.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 55.12 3.83 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.502 1.79 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -158.01 -57.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -73.96 -33.17 63.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 218' ' ' ILE . . . . . 0.59 HG12 HD13 ' A' ' 190' ' ' ILE . 1.3 mp -64.95 -38.6 83.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 219' ' ' ILE . . . . . 0.972 HG21 HG23 ' A' ' 165' ' ' VAL . 6.4 mt -75.56 -50.35 24.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.43 -37.19 69.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.576 ' CZ ' ' CD2' ' A' ' 204' ' ' LEU . 0.4 OUTLIER -65.86 -50.07 65.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 111.0 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.699 HG11 HD12 ' A' ' 201' ' ' ILE . 12.2 t -62.21 -42.81 96.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.22 -35.89 82.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -71.6 -34.32 69.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.352 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 225' ' ' ARG . . . . . 0.829 ' HB3' HD11 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -74.03 -40.64 62.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.238 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.301 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -43.38 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.46 1.768 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.504 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -58.27 -35.94 72.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.504 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 62.8 mt -73.4 -47.87 38.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.527 HG22 HG11 ' A' ' 59' ' ' VAL . 23.6 mt -59.92 -36.0 64.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 m -65.57 -43.1 90.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.42 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -67.18 -48.9 66.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.628 HD22 HD23 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -63.08 -46.83 85.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.425 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -60.28 -31.97 70.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -61.64 -38.26 87.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.438 HG21 ' OE2' ' A' ' 39' ' ' GLU . 1.1 m -66.47 -37.51 85.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.586 HG22 HG23 ' A' ' 36' ' ' THR . 7.0 t -56.74 -45.41 82.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -48.49 81.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.7 p -67.96 -32.02 72.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 33' ' ' SER . 22.9 mmtm -82.62 -14.12 55.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 81.72 127.18 0.91 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.681 HD21 HD22 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -66.9 -24.94 66.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.05 -5.2 58.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -102.44 169.41 7.59 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.025 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.451 ' C ' ' H ' ' A' ' 36' ' ' THR . 18.5 Cg_endo -75.0 -169.99 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.49 1.784 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.45 ' HB ' ' O ' ' A' ' 34' ' ' PRO . 0.2 OUTLIER 77.68 -41.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.655 ' O ' HG23 ' A' ' 40' ' ' VAL . 28.0 m -56.71 -42.64 79.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.425 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -43.6 98.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.42 -41.11 73.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.484 ' HG2' HD21 ' A' ' 22' ' ' LEU . 3.2 mt-10 -59.91 -44.95 93.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 36' ' ' THR . 96.3 t -66.88 -49.02 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.12 -23.17 61.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -70.45 -55.91 7.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.726 ' CD1' HD21 ' A' ' 56' ' ' LEU . 1.4 pp -68.21 -47.55 67.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.952 ' HG2' HG23 ' A' ' 133' ' ' THR . 0.0 OUTLIER -73.92 -9.76 58.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 44' ' ' MET . 8.8 t -35.68 -39.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 44' ' ' MET . 0.3 OUTLIER -98.5 164.01 17.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.975 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 150.16 37.56 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.523 HD13 HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -154.24 165.97 34.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.659 HD13 ' CD ' ' A' ' 120' ' ' GLN . 0.7 OUTLIER -67.84 165.11 34.31 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -29.68 8.04 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.437 1.756 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.424 ' O ' ' OG1' ' A' ' 54' ' ' THR . 12.2 t60 -67.89 -40.43 83.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.598 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.416 ' HA ' ' OD1' ' A' ' 55' ' ' ASN . 0.7 OUTLIER -65.09 -31.48 72.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.585 HG12 ' CH2' ' A' ' 69' ' ' TRP . 17.0 t -60.95 -46.98 95.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 51' ' ' HIS . 33.6 p -66.74 -41.5 87.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.375 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.432 ' C ' ' ND2' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -66.02 -41.93 90.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.726 HD21 ' CD1' ' A' ' 43' ' ' LEU . 4.3 tp -66.89 -50.98 60.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.524 ' HG3' ' CE2' ' A' ' 69' ' ' TRP . 12.8 mmt -57.32 -43.43 83.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.13 -36.66 65.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.527 HG11 HG22 ' A' ' 19' ' ' ILE . 25.5 t -68.54 -34.31 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.712 HG22 HD23 ' A' ' 61' ' ' LEU . 40.8 mt -78.86 -44.32 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.712 HD23 HG22 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -124.79 134.82 52.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.492 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -61.46 -162.5 0.19 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.439 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.4 Cg_endo -74.93 -21.38 16.09 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.926 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.5 -58.45 3.73 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.926 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.99 5.34 4.04 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.439 ' HB2' ' HA ' ' A' ' 63' ' ' PRO . 0.8 OUTLIER -77.6 -51.31 10.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.956 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.18 -31.39 68.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.923 ' HB3' HG22 ' A' ' 143' ' ' VAL . 7.5 mp -65.59 -47.98 73.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.746 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 49.6 t90 -71.0 -38.99 72.68 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -43.39 94.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -65.05 -45.17 86.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.439 ' HB1' ' HA ' ' A' ' 139' ' ' ALA . . . -70.03 -28.96 65.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.746 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 12.9 t90 -71.2 -41.51 70.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 107.992 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.65 -42.91 99.47 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.5 t -68.26 -46.93 80.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -58.52 -46.47 86.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.613 ' CD2' HD13 ' A' ' 106' ' ' LEU . 3.2 mt -63.09 -45.85 90.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -58.62 -30.23 67.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -67.72 -36.28 80.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.603 HG13 ' NE2' ' A' ' 90' ' ' HIS . 73.1 t -71.47 -39.26 70.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.499 ' HA ' ' CG2' ' A' ' 101' ' ' THR . 47.5 mm -64.39 -50.2 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.49 -34.31 76.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 79' ' ' THR . . . -65.66 -35.61 81.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.719 ' HB2' ' HD2' ' A' ' 90' ' ' HIS . . . -67.82 -46.16 72.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -35.58 81.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.403 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -76.06 -43.55 43.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -111.02 116.66 51.38 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -1.13 10.81 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.521 1.801 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -99.44 24.3 8.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.719 ' HD2' ' HB2' ' A' ' 84' ' ' ALA . 1.0 OUTLIER -92.83 128.3 44.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.602 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.45 14.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.429 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -62.18 -23.67 66.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.577 ' HB3' ' HB1' ' A' ' 84' ' ' ALA . 23.1 p30 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.527 HG22 ' HB3' ' A' ' 84' ' ' ALA . 5.5 t -70.9 170.11 13.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.8 137.69 29.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.465 ' CD1' HG13 ' A' ' 81' ' ' ILE . 7.0 tp -56.5 -35.84 68.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -65.79 -43.65 88.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? -59.99 -46.82 88.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.613 HD13 ' CD2' ' A' ' 77' ' ' LEU . 9.7 mt -71.22 -23.87 62.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -51.9 68.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.75 ' O ' HG13 ' A' ' 114' ' ' VAL . . . 114.08 16.77 7.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -100.45 4.83 44.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.64 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.38 147.61 30.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -59.24 122.66 14.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.262 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.71 -5.1 84.95 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.543 1.152 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.64 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 1.3 ttt -86.83 -31.81 20.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.76 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.75 HG13 ' O ' ' A' ' 108' ' ' GLY . 0.1 OUTLIER -98.22 136.18 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.69 3.38 64.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -153.67 106.97 2.53 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.465 0.744 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.465 ' HA ' ' CD1' ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.01 -49.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.449 1.762 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -77.83 -27.92 50.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.354 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -74.63 -43.19 30.22 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.473 1.108 . . . . 0.0 111.067 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.659 ' CD ' HD13 ' A' ' 49' ' ' LEU . 6.7 pt20 -66.48 -44.41 82.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 0.725 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' A' ' 120' ' ' GLN . . . -57.79 -36.02 71.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.42 -18.11 57.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.983 ' O ' HD23 ' A' ' 123' ' ' LEU . 6.9 tt -80.12 -16.1 55.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.482 HD22 ' HE3' ' A' ' 113' ' ' MET . 0.1 OUTLIER -127.88 127.1 42.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.67 157.16 1.99 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 108.68 2.77 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.552 1.817 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.25 -46.73 0.3 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.577 1.173 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.429 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 12.4 mt-10 -58.71 -32.58 69.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.81 ' HA ' HD12 ' A' ' 132' ' ' ILE . 0.6 OUTLIER -59.29 -47.04 86.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 64.0 t -58.81 -39.63 77.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.89 -41.3 97.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.81 HD12 ' HA ' ' A' ' 129' ' ' LEU . 5.3 mt -69.18 -38.53 78.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.952 HG23 ' HG2' ' A' ' 44' ' ' MET . 87.8 m -67.03 -41.85 85.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.38 -48.32 61.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.2 m -63.03 -34.05 76.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 110.042 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.78 -43.08 89.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -36.1 83.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.125 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -63.36 -37.36 86.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.439 ' HA ' ' HB1' ' A' ' 72' ' ' ALA . . . -67.61 -29.2 68.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.071 . . . . 0.0 109.355 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.529 ' CZ ' ' CG2' ' A' ' 36' ' ' THR . 2.2 t80 -66.28 -47.97 71.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -63.56 -25.45 68.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -71.48 -42.09 68.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.923 HG22 ' HB3' ' A' ' 68' ' ' LEU . 31.2 t -69.14 -43.43 81.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.06 -19.96 61.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 155' ' ' ASP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 110.96 -0.438 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' TRP . . . . . 0.702 ' CZ3' HD11 ' A' ' 180' ' ' LEU . 3.2 p90 -51.95 -28.97 18.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 108.022 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.23 -32.96 74.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 152' ' ' PRO . 1.3 p30 -82.47 -21.05 35.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.609 HD11 ' HB2' ' A' ' 174' ' ' ALA . 40.4 mt -76.37 120.8 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.607 HG23 ' HG2' ' A' ' 196' ' ' LYS . 3.2 m -120.62 130.43 54.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.442 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . 0.576 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 27.9 tp60 -70.39 130.3 41.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -122.7 154.05 16.97 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -17.75 19.25 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.8 -22.17 31.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.67 135.23 44.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.72 138.88 55.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 110.026 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.773 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.8 OUTLIER -59.74 -39.1 83.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.759 ' CG2' HD11 ' A' ' 223' ' ' LEU . 1.7 t -71.26 -48.5 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.33 -43.32 78.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.601 ' CE2' HD12 ' A' ' 171' ' ' LEU . 90.7 t80 -69.7 -34.98 74.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -61.63 -43.05 99.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -61.0 -46.53 90.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 61.6 mtt-85 -59.78 -37.34 78.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.601 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.4 OUTLIER -70.44 -47.21 61.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.515 ' CG1' HG21 ' A' ' 189' ' ' ILE . 45.1 mt -59.39 -41.5 84.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -64.31 -36.6 84.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.609 ' HB2' HD11 ' A' ' 156' ' ' ILE . . . -68.83 -52.98 24.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 0.528 HG13 HD12 ' A' ' 180' ' ' LEU . 56.0 t -57.15 -48.16 82.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -53.02 -34.93 58.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -107.45 34.55 5.6 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.477 1.11 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 52.9 p -123.8 166.18 16.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.776 . . . . 0.0 110.015 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.81 87.69 7.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.702 HD11 ' CZ3' ' A' ' 153' ' ' TRP . 18.1 mt -130.42 154.52 81.58 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.63 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.4 Cg_endo -75.03 164.78 32.63 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.789 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 182' ' ' PRO . . . . . 0.471 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.5 Cg_endo -74.97 79.0 2.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 0.0 111.048 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.6 OUTLIER 161.6 -27.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.63 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -80.61 -11.6 59.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . 0.544 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 22.6 mtm180 -85.41 70.17 10.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.889 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 173.28 -56.66 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 187' ' ' PRO . . . . . 0.889 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.1 Cg_endo -75.04 -32.03 5.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 30.6 t -65.03 -42.44 94.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 189' ' ' ILE . . . . . 0.739 HG22 ' CZ ' ' A' ' 193' ' ' PHE . 42.5 mt -68.15 -45.23 83.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 190' ' ' ILE . . . . . 0.76 HD11 ' C ' ' A' ' 214' ' ' THR . 71.2 mt -63.57 -45.21 98.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 191' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 195' ' ' GLN . 36.6 t70 -59.75 -37.41 78.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 192' ' ' CYS . . . . . 0.532 ' HB3' HD11 ' A' ' 171' ' ' LEU . 55.7 m -56.99 -40.97 77.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 108.312 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 193' ' ' PHE . . . . . 0.739 ' CZ ' HG22 ' A' ' 189' ' ' ILE . 9.1 m-30 -64.98 -27.14 68.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 194' ' ' ARG . . . . . 0.515 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 0.0 OUTLIER -117.79 27.7 8.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 191' ' ' ASP . 4.1 tm0? -119.59 -40.98 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 196' ' ' LYS . . . . . 0.607 ' HG2' HG23 ' A' ' 157' ' ' THR . 0.2 OUTLIER -115.23 -50.36 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 197' ' ' SER . . . . . 0.469 ' CB ' ' HG2' ' A' ' 158' ' ' GLN . 0.7 OUTLIER -37.39 155.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.449 1.093 . . . . 0.0 109.984 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 198' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 197' ' ' SER . 1.2 mp0 -45.19 170.45 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 199' ' ' PRO . . . . . 0.429 ' O ' ' HG3' ' A' ' 202' ' ' GLN . 18.3 Cg_endo -75.02 -32.47 5.33 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -41.37 95.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 7.2 mm -73.44 -46.08 50.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 202' ' ' GLN . . . . . 0.562 ' HG3' ' N ' ' A' ' 203' ' ' GLN . 0.0 OUTLIER -62.24 -36.15 81.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 203' ' ' GLN . . . . . 0.562 ' N ' ' HG3' ' A' ' 202' ' ' GLN . 3.7 mm100 -64.57 -34.59 78.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . 0.632 HD21 ' CB ' ' A' ' 225' ' ' ARG . 0.3 OUTLIER -64.93 -49.96 68.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.553 ' O ' ' HB3' ' A' ' 208' ' ' ALA . 0.3 OUTLIER -63.51 -46.36 95.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 206' ' ' ARG . . . . . 0.431 ' NH1' ' OE1' ' A' ' 203' ' ' GLN . 0.0 OUTLIER -61.6 -33.51 74.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -88.12 -6.17 58.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 208' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -61.78 159.74 32.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 209' ' ' PRO . . . . . 0.571 ' HB2' HG22 ' A' ' 211' ' ' THR . 18.2 Cg_endo -74.95 148.59 35.74 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -8.45 31.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.977 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 211' ' ' THR . . . . . 0.961 HG23 HD23 ' A' ' 212' ' ' LEU . 13.0 t -73.97 -13.23 60.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 212' ' ' LEU . . . . . 0.961 HD23 HG23 ' A' ' 211' ' ' THR . 0.6 OUTLIER -112.62 133.04 54.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . 0.809 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.1 p -163.27 34.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.439 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 214' ' ' THR . . . . . 0.76 ' C ' HD11 ' A' ' 190' ' ' ILE . 1.8 p -129.89 155.4 80.59 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.42 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.09 3.85 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.475 1.776 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -162.72 -61.53 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.534 1.147 . . . . 0.0 111.018 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 217' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' A' ' 217' ' ' GLU . 2.7 mp0 -61.97 -33.24 73.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 218' ' ' ILE . . . . . 0.466 HG12 ' CG2' ' A' ' 190' ' ' ILE . 1.1 mp -62.15 -42.42 95.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 219' ' ' ILE . . . . . 0.773 HG23 ' CE2' ' A' ' 164' ' ' PHE . 3.9 mt -75.49 -48.74 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.27 -34.71 64.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.449 ' CE2' ' HB2' ' A' ' 208' ' ' ALA . 11.4 t80 -74.26 -46.07 43.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.432 HG22 ' HB3' ' A' ' 204' ' ' LEU . 4.0 t -60.61 -42.3 91.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.759 HD11 ' CG2' ' A' ' 165' ' ' VAL . 93.6 mt -67.12 -36.49 82.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.587 1.18 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.99 -38.16 85.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.36 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 225' ' ' ARG . . . . . 0.632 ' CB ' HD21 ' A' ' 204' ' ' LEU . 0.8 OUTLIER -75.83 -36.89 59.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 226' ' ' GLN . . . . . 0.501 HE21 HD23 ' A' ' 223' ' ' LEU . 12.9 mt-30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 11.2 m-90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.576 ' O ' HG23 ' A' ' 12' ' ' THR . 13.9 t -113.71 105.98 54.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.444 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 125.37 9.29 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.794 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.004 HD21 HD12 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -84.63 154.17 22.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.752 ' CG ' HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -84.03 114.57 55.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 20' ' ' THR . 18.2 Cg_endo -74.99 -23.68 13.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.487 1.783 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 58.8 pttt -57.4 -44.89 84.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.752 HD12 ' CG ' ' A' ' 15' ' ' GLU . 34.2 mt -65.53 -47.79 74.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.004 HD12 HD21 ' A' ' 14' ' ' LEU . 14.1 mt -63.5 -35.68 73.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 16' ' ' PRO . 3.3 m -61.45 -42.96 99.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.431 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.489 ' CG ' ' N ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.59 -42.75 98.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.546 HD13 ' HB3' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -67.2 -45.5 76.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.417 ' HB2' HG12 ' A' ' 60' ' ' ILE . . . -63.92 -31.24 72.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.97 ' O ' HG23 ' A' ' 28' ' ' THR . 5.5 t70 -60.8 -42.36 97.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.506 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.9 m -65.59 -38.05 88.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.404 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.894 ' CG1' HG23 ' A' ' 36' ' ' THR . 52.5 t -60.53 -49.08 85.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -45.72 91.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.97 HG23 ' O ' ' A' ' 24' ' ' ASP . 70.4 p -63.99 -30.37 71.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.585 ' CB ' HG21 ' A' ' 35' ' ' ILE . 12.9 mmtt -88.52 -14.36 37.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 102.65 127.25 6.05 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.857 HD22 HG12 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -67.32 -30.12 69.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 109.306 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.493 ' CZ ' ' O ' ' A' ' 144' ' ' ALA . 3.8 mtt-85 -89.01 2.19 54.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.72 163.57 43.39 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.974 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.431 ' C ' ' N ' ' A' ' 36' ' ' THR . 18.4 Cg_endo -74.98 -38.23 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.807 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.585 HG21 ' CB ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -45.25 -26.18 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.894 HG23 ' CG1' ' A' ' 26' ' ' VAL . 87.6 m -58.31 -49.19 78.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.378 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.576 ' SD ' HD23 ' A' ' 137' ' ' LEU . 18.2 mmt -64.39 -32.55 74.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.06 -52.38 24.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.539 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -62.14 -47.47 84.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 36' ' ' THR . 56.3 t -60.38 -44.11 95.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 45' ' ' SER . 37.6 mt-10 -66.27 -24.4 66.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -63.31 -55.02 28.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.244 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.742 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -72.04 -48.93 40.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.518 ' HB3' HG22 ' A' ' 133' ' ' THR . 24.2 mtt -68.5 -10.59 56.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' GLU . 11.3 t -37.2 -32.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -106.97 164.82 14.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 149.18 36.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.856 HD13 HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -146.83 -173.29 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.627 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -90.7 163.29 30.82 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.593 ' O ' HG23 ' A' ' 54' ' ' THR . 18.3 Cg_endo -74.94 -32.44 5.48 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -67.29 -48.88 66.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -63.22 -32.66 74.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.856 HG23 HD13 ' A' ' 48' ' ' LEU . 2.4 t -55.02 -46.34 77.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 50' ' ' PRO . 30.6 p -66.59 -40.71 89.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -62.17 -40.78 97.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.742 HD21 ' CD1' ' A' ' 43' ' ' LEU . 7.0 tp -66.79 -53.59 31.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.551 ' O ' HD23 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -56.98 -40.15 76.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.968 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -57.53 -35.65 70.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.528 HG11 HG22 ' A' ' 19' ' ' ILE . 13.4 t -74.61 -40.14 47.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.417 HG12 ' HB2' ' A' ' 23' ' ' ALA . 2.4 mt -71.16 -44.62 73.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.583 HD22 ' CE2' ' A' ' 140' ' ' PHE . 0.4 OUTLIER -120.42 135.0 55.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.574 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -49.05 -179.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.579 1.174 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.439 ' HA ' ' HB3' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.99 -23.89 13.37 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.544 1.813 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.902 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -65.21 -56.4 20.2 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.902 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.05 -22.14 15.04 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.506 1.793 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.444 ' OH ' ' CE ' ' A' ' 70' ' ' MET . 33.5 t80 -54.51 -46.85 73.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.78 -37.66 87.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.518 ' HB3' HG22 ' A' ' 143' ' ' VAL . 6.8 mp -63.74 -31.26 72.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.689 ' CH2' ' CE3' ' A' ' 73' ' ' TRP . 38.4 t90 -70.33 -34.66 72.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 107.975 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.444 ' CE ' ' OH ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -62.63 -42.16 99.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -63.37 -46.95 84.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.13 71.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.689 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 11.5 t90 -66.06 -41.17 91.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 108.004 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.441 ' O ' ' NE2' ' A' ' 78' ' ' GLN . . . -58.96 -45.64 94.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.14 -47.53 78.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.464 ' O ' HG22 ' A' ' 79' ' ' THR . 89.6 mm-40 -56.21 -42.73 77.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.639 ' CD2' HD13 ' A' ' 106' ' ' LEU . 2.1 mt -64.88 -46.24 82.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 74' ' ' GLY . 25.3 mt-30 -59.84 -37.59 79.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 76' ' ' GLN . 0.5 OUTLIER -62.1 -35.62 79.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.396 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.66 -38.5 73.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.488 HD11 HD12 ' A' ' 106' ' ' LEU . 29.5 mm -64.75 -48.98 82.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.25 -39.72 89.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.05 79.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.4 ' HB1' ' OD1' ' A' ' 93' ' ' ASN . . . -61.52 -37.09 82.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.8 m -67.41 -37.9 83.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.414 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -74.99 -39.07 61.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.17 105.94 48.08 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.15 3.56 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -153.48 22.49 0.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.73 142.22 65.45 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.602 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -22.04 15.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.802 . . . . 0.0 111.045 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.61 -9.28 58.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.4 ' OD1' ' HB1' ' A' ' 84' ' ' ALA . 97.5 m-20 -80.4 149.83 30.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -43.63 -54.85 5.59 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -165.03 -43.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -135.16 -161.24 9.3 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -80.5 0.07 35.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 0.0 110.299 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -82.12 -52.71 3.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.508 1.13 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.17 -55.98 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.744 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 64.09 132.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.9 t -72.84 155.56 39.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.404 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -137.2 149.64 47.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 77' ' ' LEU . 2.0 tp -63.66 -40.78 97.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -44.8 95.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -46.66 86.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.639 HD13 ' CD2' ' A' ' 77' ' ' LEU . 28.5 mt -65.2 -22.26 66.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -76.62 -42.0 43.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 103.33 23.59 8.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.843 ' HA ' HG22 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -94.61 -3.75 49.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.787 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.732 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -63.28 141.08 58.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.76 130.64 33.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.71 -17.53 59.12 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.758 ' SD ' HD13 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -102.35 -32.09 10.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 110.985 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.843 HG22 ' HA ' ' A' ' 109' ' ' LEU . 2.6 t -68.98 122.57 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 86.34 2.34 85.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.112 . . . . 0.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 1.3 m-20 -141.57 101.95 6.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.77 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -58.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 0.0 110.964 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -53.69 50.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.1 -34.28 78.68 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.546 1.154 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.542 ' CG ' HD11 ' A' ' 124' ' ' LEU . 31.1 tt0 -66.12 -44.47 84.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 110.349 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.62 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -66.32 -37.74 86.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.35 -23.8 62.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.088 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.758 HD13 ' SD ' ' A' ' 113' ' ' MET . 0.4 OUTLIER -80.65 -37.97 29.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.542 HD11 ' CG ' ' A' ' 120' ' ' GLN . 0.5 OUTLIER -85.68 116.12 23.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.99 157.92 0.27 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 109.03 2.85 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.502 1.79 . . . . 0.0 111.042 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 152.84 -44.53 0.61 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -33.05 70.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.4 mt -60.65 -44.08 96.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.4 t -59.85 -39.95 81.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.76 -42.39 79.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.462 ' CG1' HD22 ' A' ' 106' ' ' LEU . 50.2 mt -67.57 -39.31 82.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.518 HG22 ' HB3' ' A' ' 44' ' ' MET . 26.1 m -63.41 -47.48 81.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.25 -47.94 69.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 46.3 p -56.88 -33.75 67.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.53 -41.32 72.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.576 HD23 ' SD ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -62.96 -36.79 84.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -68.16 -40.3 82.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.263 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.18 -29.37 69.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.583 ' CE2' HD22 ' A' ' 61' ' ' LEU . 27.6 t80 -65.21 -50.26 66.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.74 -29.63 68.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -65.86 -39.93 91.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.518 HG22 ' HB3' ' A' ' 68' ' ' LEU . 25.2 t -74.97 -42.05 45.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.493 ' O ' ' CZ ' ' A' ' 32' ' ' ARG . . . -55.21 -36.18 65.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.47 -38.19 68.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.23 -175.69 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -176.86 71.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -117.98 120.1 32.93 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 78.28 2.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -103.33 151.96 22.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.593 ' HA3' ' HB3' ' A' ' 154' ' ' ALA . . . -101.89 157.94 18.53 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.575 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.2 Cg_endo -75.02 -47.11 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.441 1.759 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' TRP . . . . . 0.676 ' CH2' HD11 ' A' ' 180' ' ' LEU . 31.0 p90 -101.24 -20.63 15.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 108.026 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.593 ' HB3' ' HA3' ' A' ' 151' ' ' GLY . . . -62.84 -32.02 73.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.1 -21.42 46.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.531 HG22 ' CE1' ' A' ' 167' ' ' PHE . 7.0 mt -83.54 120.42 34.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.609 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 3.0 m -131.8 133.8 45.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.582 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 22.2 tp60 -73.6 128.41 35.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.158 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -118.76 166.2 12.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -25.42 12.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.443 1.759 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.43 -27.77 59.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.42 135.13 45.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.41 ' HB2' ' CB ' ' A' ' 166' ' ' ASP . 65.3 m -57.82 151.38 17.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.788 ' CE2' HG23 ' A' ' 219' ' ' ILE . 1.1 t80 -69.74 -43.1 72.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.955 HG21 HD11 ' A' ' 223' ' ' LEU . 1.0 OUTLIER -70.79 -46.55 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.41 ' CB ' ' HB2' ' A' ' 163' ' ' SER . 13.5 t70 -56.26 -48.08 77.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.609 ' CE1' ' C ' ' A' ' 157' ' ' THR . 59.7 t80 -66.47 -42.51 87.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -56.23 -37.38 69.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -63.65 -44.05 94.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -62.52 -37.42 86.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.58 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.5 OUTLIER -70.82 -49.93 41.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.519 HG12 HD13 ' A' ' 189' ' ' ILE . 23.3 mt -57.77 -43.93 84.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -61.87 -36.2 80.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.48 -52.51 31.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 0.605 HG21 HG13 ' A' ' 189' ' ' ILE . 40.0 t -57.15 -44.99 84.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.446 ' OE2' HG22 ' A' ' 172' ' ' ILE . 1.7 mt-10 -53.38 -39.45 64.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -103.77 35.19 5.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 5.0 p -118.97 166.41 12.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 0.809 . . . . 0.0 109.992 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -89.04 76.4 7.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.676 HD11 ' CH2' ' A' ' 153' ' ' TRP . 29.9 mt -123.82 155.32 66.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.74 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.3 Cg_endo -75.04 167.1 27.75 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 64.0 6.07 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.468 1.773 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 4.2 t -179.73 -37.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.459 1.099 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.74 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -72.19 -11.74 60.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . 0.507 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 21.0 mtm105 -84.49 67.55 9.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.901 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 175.45 -57.54 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' PRO . . . . . 0.901 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.4 Cg_endo -74.91 -26.61 10.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 44.8 t -68.42 -41.38 83.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.605 HG13 HG21 ' A' ' 175' ' ' VAL . 24.4 mt -66.67 -48.87 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' ILE . . . . . 0.733 HD11 ' C ' ' A' ' 214' ' ' THR . 65.3 mt -68.26 -37.81 78.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 187' ' ' PRO . 6.7 t70 -62.11 -36.21 81.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' CYS . . . . . 0.411 ' HA ' ' HB2' ' A' ' 195' ' ' GLN . 14.6 m -60.41 -46.52 89.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -56.71 -50.59 71.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' ARG . . . . . 0.538 ' HB3' HG21 ' A' ' 205' ' ' ILE . 3.8 ptp180 -78.32 2.67 17.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . 0.411 ' HB2' ' HA ' ' A' ' 192' ' ' CYS . 0.0 OUTLIER -81.08 -56.06 4.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.248 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 197' ' ' SER . 41.6 tttm -126.79 -84.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 196' ' ' LYS . 3.8 m 34.44 -150.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.996 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' GLN . . . . . 0.511 ' CD ' ' N ' ' A' ' 198' ' ' GLN . 0.0 OUTLIER -107.57 170.33 5.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -33.91 4.23 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.536 1.808 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -63.97 -50.1 69.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 18.5 mm -70.27 -44.18 77.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -56.14 -46.45 79.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -61.05 -31.24 70.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.699 HD13 HG13 ' A' ' 222' ' ' VAL . 0.6 OUTLIER -68.49 -49.68 57.92 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.598 ' O ' ' HB3' ' A' ' 208' ' ' ALA . 0.5 OUTLIER -63.3 -48.16 88.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -60.46 -36.29 77.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -86.92 5.02 39.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.244 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -70.36 161.54 75.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . 0.501 ' HB2' HG22 ' A' ' 211' ' ' THR . 18.4 Cg_endo -74.99 154.96 42.92 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.83 24.3 4.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . 0.501 HG22 ' HB2' ' A' ' 209' ' ' PRO . 15.1 t -107.44 -6.28 17.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.373 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 212' ' ' LEU . . . . . 0.622 ' O ' HG23 ' A' ' 213' ' ' THR . 0.5 OUTLIER -144.61 142.59 30.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.1 p -158.03 47.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 214' ' ' THR . . . . . 0.733 ' C ' HD11 ' A' ' 190' ' ' ILE . 72.3 p -121.7 158.39 54.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.382 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 55.17 3.86 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.483 1.78 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -160.78 -53.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.3 -35.49 63.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 218' ' ' ILE . . . . . 0.721 HG12 HD13 ' A' ' 190' ' ' ILE . 1.2 mp -61.8 -43.11 96.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 219' ' ' ILE . . . . . 0.788 HG23 ' CE2' ' A' ' 164' ' ' PHE . 5.0 mt -75.15 -44.42 43.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -55.88 -42.71 76.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.521 ' CE2' HD22 ' A' ' 204' ' ' LEU . 1.0 OUTLIER -67.66 -45.42 75.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.699 HG13 HD13 ' A' ' 204' ' ' LEU . 5.6 t -60.11 -44.61 95.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.955 HD11 HG21 ' A' ' 165' ' ' VAL . 85.0 mt -65.47 -37.94 88.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -65.18 -33.07 75.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.323 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . 0.446 ' CB ' HD21 ' A' ' 204' ' ' LEU . 0.7 OUTLIER -79.44 -43.81 22.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.285 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -51.64 -47.81 63.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 39.9 pttt 41.9 -150.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 24.7 mm -142.76 92.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 229' ' ' ALA . . . . . 0.842 ' HB3' ' HD3' ' A' ' 230' ' ' PRO . . . -68.9 -54.69 12.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 230' ' ' PRO . . . . . 0.842 ' HD3' ' HB3' ' A' ' 229' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.439 ' N ' ' HG2' ' A' ' 117' ' ' PRO . 15.7 t-105 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.439 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 70.0 p -132.28 143.09 47.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.401 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 12' ' ' THR . 18.3 Cg_endo -74.99 124.43 8.63 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.482 1.78 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.736 HD11 HD11 ' A' ' 19' ' ' ILE . 11.8 tp -116.79 152.98 33.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.517 ' HG2' HD12 ' A' ' 18' ' ' LEU . 3.7 tp10 -108.26 102.81 48.25 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.03 -32.67 5.15 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.458 1.767 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -65.28 -47.09 77.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.517 HD12 ' HG2' ' A' ' 15' ' ' GLU . 96.7 mt -69.14 -39.25 78.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.736 HD11 HD11 ' A' ' 14' ' ' LEU . 64.6 mt -70.54 -36.58 66.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 16' ' ' PRO . 5.4 m -64.08 -50.29 68.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.362 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 22' ' ' LEU . 5.1 ptp180 -61.64 -40.65 95.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.648 HD13 HD23 ' A' ' 43' ' ' LEU . 1.2 mt -66.43 -45.79 78.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.28 -32.27 73.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.456 ' O ' HG23 ' A' ' 28' ' ' THR . 0.3 OUTLIER -62.18 -47.63 83.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.578 HG22 ' OE1' ' A' ' 39' ' ' GLU . 1.2 m -61.24 -37.76 84.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.416 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.742 HG22 ' HA ' ' A' ' 36' ' ' THR . 2.3 t -63.34 -41.29 92.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -67.29 -47.98 69.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 24' ' ' ASP . 65.4 p -70.22 -30.77 67.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.372 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 25' ' ' THR . 16.0 mmtt -81.05 -13.96 58.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.08 128.65 0.36 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.729 HD13 ' CE1' ' A' ' 140' ' ' PHE . 0.9 OUTLIER -67.25 -20.06 65.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -89.2 2.4 54.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -105.27 153.55 39.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.947 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.424 ' O ' ' CB ' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -74.99 97.89 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 111.036 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.484 HG23 ' OE2' ' A' ' 39' ' ' GLU . 0.1 OUTLIER 168.43 -31.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.742 ' HA ' HG22 ' A' ' 26' ' ' VAL . 2.8 m -58.53 -47.79 83.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.424 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 32.0 mmt -64.36 -41.43 96.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.29 -50.5 65.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.581 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 46.5 mt-10 -59.87 -47.46 85.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.538 HG12 HD21 ' A' ' 137' ' ' LEU . 37.7 t -60.75 -49.04 86.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.564 ' HG3' HD22 ' A' ' 137' ' ' LEU . 7.6 mt-10 -63.37 -24.2 67.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.581 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -61.89 -55.86 25.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.656 HD11 HD21 ' A' ' 56' ' ' LEU . 1.2 pp -73.08 -44.64 60.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.511 ' CE ' ' CE ' ' A' ' 57' ' ' MET . 14.8 mtt -69.83 -9.93 56.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' GLU . 46.9 t -35.34 -35.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' MET . 6.7 p -101.38 158.9 30.9 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 149.87 37.54 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 0.0 111.025 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.688 HD13 HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -149.56 -177.04 5.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.75 ' O ' HG23 ' A' ' 53' ' ' VAL . 9.0 mt -86.5 162.49 45.17 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.633 ' O ' HG23 ' A' ' 54' ' ' THR . 18.2 Cg_endo -75.02 -26.25 11.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.804 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -67.93 -51.12 51.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.562 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -62.87 -32.22 73.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 49' ' ' LEU . 9.5 t -54.49 -44.52 68.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 50' ' ' PRO . 18.9 p -65.64 -36.98 85.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.384 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -67.38 -43.54 81.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.656 HD21 HD11 ' A' ' 43' ' ' LEU . 14.4 tp -66.68 -54.39 23.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.55 ' HG2' ' CE2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -57.82 -39.92 78.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 61' ' ' LEU . 8.2 ttt85 -56.7 -36.86 70.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.3 t -74.63 -35.43 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.466 ' HB ' HD23 ' A' ' 61' ' ' LEU . 3.6 mt -72.79 -43.64 60.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -121.94 130.36 53.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.575 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -50.01 -178.2 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.467 ' HA ' ' HB3' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.06 -18.75 18.34 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.919 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.1 -56.76 5.29 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.919 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.0 -24.05 13.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.455 1.766 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.543 ' HA ' HD12 ' A' ' 61' ' ' LEU . 2.9 t80 -55.55 -40.85 72.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.49 -36.83 85.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.562 ' HB3' HG22 ' A' ' 143' ' ' VAL . 7.4 mp -66.54 -42.51 87.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.55 ' CE2' ' HG2' ' A' ' 57' ' ' MET . 28.3 t90 -68.74 -34.51 75.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 107.986 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.417 ' HE2' ' CZ3' ' A' ' 69' ' ' TRP . 0.9 OUTLIER -65.98 -36.21 82.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -71.56 -47.48 54.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.86 -45.82 80.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 19.9 t90 -50.66 -42.02 56.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 108.017 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.403 ' O ' ' OE1' ' A' ' 78' ' ' GLN . . . -58.76 -44.09 96.06 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.2 t -67.91 -46.27 82.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.431 ' NE2' ' HA ' ' A' ' 76' ' ' GLN . 18.1 mm100 -54.43 -46.18 73.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.636 ' CD2' HD13 ' A' ' 106' ' ' LEU . 3.1 mt -56.79 -42.12 78.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 74' ' ' GLY . 0.6 OUTLIER -67.79 -30.21 69.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 110.274 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.84 -35.19 78.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.402 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.5 t -69.32 -35.35 67.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.635 HG13 HG23 ' A' ' 101' ' ' THR . 1.5 mp -75.49 -50.1 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.9 -47.43 85.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.77 -43.19 80.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.14 -49.01 78.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.175 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.43 -29.35 69.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -75.14 -41.58 58.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.252 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -129.35 115.66 18.52 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 54.94 3.77 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.553 1.817 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.44 14.35 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.442 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -83.84 134.37 44.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.599 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -22.08 15.22 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.53 -22.12 66.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 90' ' ' HIS . 14.5 p30 -100.34 154.1 18.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.447 ' O ' ' NH2' ' A' ' 125' ' ' ARG . . . 145.11 95.42 0.19 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -159.58 50.99 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 110.32 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 133.24 -155.49 21.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.6 -0.02 45.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -97.77 -57.92 1.01 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 69.53 70.06 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.736 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.73 118.74 17.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.635 HG23 HG13 ' A' ' 81' ' ' ILE . 2.6 t -74.49 170.2 16.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 110.369 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -153.88 146.67 24.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.367 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.503 HD12 HD13 ' A' ' 81' ' ' ILE . 1.2 tp -56.0 -30.88 62.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -66.23 -44.93 82.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -59.48 -47.33 85.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.636 HD13 ' CD2' ' A' ' 77' ' ' LEU . 48.0 mt -71.66 -15.76 62.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.85 -57.04 6.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.458 ' HA2' ' CE ' ' A' ' 113' ' ' MET . . . 113.74 22.26 5.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -104.92 5.34 32.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 0.772 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.821 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.39 171.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.06 124.18 24.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.249 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 83.45 9.6 83.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.821 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 45.9 mtp -103.32 -22.7 13.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.63 134.54 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.77 3.18 66.41 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.13 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.77 99.4 2.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.439 ' HG2' ' N ' ' A' ' 11' ' ' TRP . 18.4 Cg_endo -75.0 -37.53 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -77.48 -32.23 54.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -76.38 -42.62 22.41 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.453 1.096 . . . . 0.0 111.037 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.439 ' HG3' ' N ' ' A' ' 121' ' ' ALA . 21.6 pt20 -61.24 -44.54 97.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.439 ' N ' ' HG3' ' A' ' 120' ' ' GLN . . . -61.52 -42.61 99.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.78 -19.04 61.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.51 HD23 ' HG ' ' A' ' 124' ' ' LEU . 0.2 OUTLIER -79.49 -30.99 42.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.351 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.804 HD11 ' CE ' ' A' ' 113' ' ' MET . 1.0 OUTLIER -88.53 103.56 16.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 94' ' ' GLY . 0.0 OUTLIER -39.19 159.09 0.11 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.327 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 108.5 2.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.544 1.813 . . . . 0.0 110.992 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 154.69 -41.59 0.61 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 0.2 OUTLIER -66.25 -39.54 89.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 110.255 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.1 mt -59.13 -42.39 90.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.9 t -59.26 -39.87 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -56.71 -41.02 76.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.461 HG21 ' HB3' ' A' ' 50' ' ' PRO . 42.0 mt -69.01 -38.81 78.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.486 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 21.5 m -63.9 -48.68 75.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.34 -43.74 93.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 82.5 p -63.69 -34.1 77.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.984 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.7 -39.8 80.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.564 HD22 ' HG3' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -70.08 -34.02 72.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -71.84 -39.82 69.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.84 -33.06 74.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.729 ' CE1' HD13 ' A' ' 31' ' ' LEU . 2.6 t80 -65.45 -57.36 8.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -24.7 50.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -68.13 -41.87 81.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.562 HG22 ' HB3' ' A' ' 68' ' ' LEU . 5.4 t -68.92 -40.59 81.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -64.5 -49.57 70.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -59.48 -36.72 76.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.525 HD22 HD23 ' A' ' 68' ' ' LEU . 1.4 tp -49.19 100.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -167.88 166.98 13.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.268 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.539 ' OE1' ' HB2' ' A' ' 150' ' ' ALA . 1.0 OUTLIER -117.47 102.9 51.74 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 63.81 6.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.487 1.783 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.539 ' HB2' ' OE1' ' A' ' 148' ' ' GLU . . . -87.55 112.29 22.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 133.82 78.69 0.12 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.515 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.2 Cg_endo -75.04 -39.47 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.558 1.82 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' TRP . . . . . 0.845 ' CH2' HD11 ' A' ' 180' ' ' LEU . 32.6 p90 -51.63 -26.5 9.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 107.968 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.86 76.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 152' ' ' PRO . 62.0 m-20 -87.31 -22.09 25.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.887 HG22 ' CE1' ' A' ' 167' ' ' PHE . 26.4 mt -85.56 120.87 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.517 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 18.6 p -128.9 145.39 51.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.397 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.471 ' HA ' ' NE2' ' A' ' 158' ' ' GLN . 1.9 tp-100 -76.97 104.6 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.42 ' O ' ' OE1' ' A' ' 158' ' ' GLN . . . -106.35 163.84 13.61 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -17.84 19.18 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.64 -24.5 58.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -120.33 135.47 55.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 27.4 m -57.56 156.52 8.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.954 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.79 ' CE2' HG23 ' A' ' 219' ' ' ILE . 1.4 t80 -65.02 -52.14 57.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.924 HG23 HG21 ' A' ' 219' ' ' ILE . 0.8 OUTLIER -62.85 -45.48 98.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.437 ' N ' ' CG1' ' A' ' 165' ' ' VAL . 1.1 m-20 -56.31 -47.84 77.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.887 ' CE1' HG22 ' A' ' 156' ' ' ILE . 9.5 t80 -67.17 -33.73 76.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.416 ' O ' HD12 ' A' ' 172' ' ' ILE . . . -64.71 -33.35 75.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -67.23 -49.69 63.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.404 ' HD2' ' N ' ' A' ' 170' ' ' ARG . 4.2 mpt_? -61.88 -37.74 85.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.882 HD12 ' CZ ' ' A' ' 167' ' ' PHE . 3.5 tt -69.46 -49.36 55.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.514 HG12 HD13 ' A' ' 189' ' ' ILE . 36.7 mt -57.81 -45.67 87.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -60.74 -35.58 76.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.83 -51.98 34.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 0.497 HG23 HD23 ' A' ' 171' ' ' LEU . 46.8 t -57.15 -46.71 84.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -52.17 -40.71 61.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -100.22 27.77 18.81 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.559 1.162 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 26.2 p -111.73 166.08 11.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 110.014 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.7 84.52 5.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.845 HD11 ' CH2' ' A' ' 153' ' ' TRP . 27.9 mt -129.18 156.94 77.48 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.55 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.3 Cg_endo -75.02 162.02 37.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . 0.426 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.3 Cg_endo -74.97 78.69 2.83 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.486 1.782 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.5 OUTLIER 163.9 -30.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.55 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -81.12 -11.64 59.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 83.6 mtm180 -83.6 69.94 10.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.916 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 175.08 -57.76 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' PRO . . . . . 0.916 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -74.98 -28.39 9.25 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.518 1.799 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 24.1 t -67.47 -38.81 81.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.514 HD13 HG12 ' A' ' 172' ' ' ILE . 53.9 mt -66.72 -48.32 80.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' ILE . . . . . 0.668 HD11 ' C ' ' A' ' 214' ' ' THR . 49.1 mt -69.26 -36.15 71.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -64.11 -37.53 87.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 63.5 m -60.51 -46.26 90.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 108.293 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' PHE . . . . . 0.408 ' O ' ' OG ' ' A' ' 197' ' ' SER . 12.6 m-30 -53.81 -38.3 64.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -98.32 9.75 42.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -87.62 -45.05 10.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.91 71.04 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 197' ' ' SER . . . . . 0.463 ' HB3' ' CG ' ' A' ' 158' ' ' GLN . 1.6 m -138.41 167.16 22.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 198' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 197' ' ' SER . 2.1 mp0 -38.34 154.46 0.13 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -37.23 2.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.46 1.768 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -44.36 88.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 18.3 mm -72.94 -37.38 53.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -70.34 -43.84 69.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.33 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . 0.517 ' NE2' ' HB2' ' A' ' 207' ' ' ALA . 33.0 tp60 -62.04 -32.01 72.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.53 HD11 ' HG2' ' A' ' 225' ' ' ARG . 0.3 OUTLIER -68.14 -48.98 63.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.496 ' O ' ' HB3' ' A' ' 208' ' ' ALA . 0.4 OUTLIER -64.16 -39.86 87.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -63.15 -33.84 76.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 207' ' ' ALA . . . . . 0.517 ' HB2' ' NE2' ' A' ' 203' ' ' GLN . . . -89.23 2.43 54.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 208' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -61.98 155.08 65.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . 0.436 ' HD2' HD11 ' A' ' 212' ' ' LEU . 18.5 Cg_endo -74.97 154.65 42.79 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.499 1.789 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.91 14.18 9.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.982 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 9.0 m -96.82 -11.64 24.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.473 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 212' ' ' LEU . . . . . 0.698 ' O ' HG23 ' A' ' 213' ' ' THR . 0.4 OUTLIER -142.05 142.31 32.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 212' ' ' LEU . 2.0 p -159.87 43.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.396 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 214' ' ' THR . . . . . 0.668 ' C ' HD11 ' A' ' 190' ' ' ILE . 34.1 p -116.52 157.92 44.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 215' ' ' PRO . . . . . 0.417 ' HB3' HG21 ' A' ' 189' ' ' ILE . 18.5 Cg_endo -74.94 55.39 3.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.436 1.756 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -159.67 -55.03 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.51 1.131 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . 0.404 ' CD ' ' OG1' ' A' ' 214' ' ' THR . 1.0 OUTLIER -74.27 -34.02 63.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 0.771 . . . . 0.0 110.307 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 218' ' ' ILE . . . . . 0.53 HG12 HD13 ' A' ' 190' ' ' ILE . 1.3 mp -62.09 -42.46 95.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 219' ' ' ILE . . . . . 0.924 HG21 HG23 ' A' ' 165' ' ' VAL . 3.4 mt -73.5 -47.33 45.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -55.77 -39.67 71.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.474 ' CZ ' HD23 ' A' ' 204' ' ' LEU . 0.9 OUTLIER -67.4 -46.14 74.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 111.011 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.441 HG22 ' HB3' ' A' ' 204' ' ' LEU . 6.1 t -60.59 -47.56 92.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.524 HD23 HE21 ' A' ' 226' ' ' GLN . 43.3 mt -65.39 -36.59 84.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.43 -37.46 87.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . 0.53 ' HG2' HD11 ' A' ' 204' ' ' LEU . 0.1 OUTLIER -78.48 -32.22 48.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.308 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . 0.524 HE21 HD23 ' A' ' 223' ' ' LEU . 11.2 mt-30 -58.62 -50.37 74.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.253 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -128.76 72.09 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 5.3 tp -52.52 144.16 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . -168.49 87.57 0.67 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.197 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.471 ' CD1' ' HG3' ' A' ' 118' ' ' GLN . 5.1 m-90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -130.01 122.64 20.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 126.47 9.99 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.503 1.791 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.984 HD11 HD11 ' A' ' 19' ' ' ILE . 0.6 OUTLIER -64.76 147.11 53.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.434 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -96.14 110.24 51.17 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.401 ' O ' ' N ' ' A' ' 20' ' ' THR . 18.3 Cg_endo -74.93 -26.24 11.25 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -65.03 -50.92 64.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.488 HD23 ' HE ' ' A' ' 21' ' ' ARG . 30.0 mt -60.36 -42.5 95.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.984 HD11 HD11 ' A' ' 14' ' ' LEU . 26.8 mt -69.33 -36.47 72.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 16' ' ' PRO . 1.7 m -61.97 -50.42 72.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.432 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.488 ' HE ' HD23 ' A' ' 18' ' ' LEU . 2.9 ptp180 -62.3 -38.55 89.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.247 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.561 HD13 ' HB3' ' A' ' 43' ' ' LEU . 6.0 mt -67.03 -38.41 85.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.414 ' CB ' HG12 ' A' ' 59' ' ' VAL . . . -68.69 -32.96 73.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.869 ' O ' HG23 ' A' ' 28' ' ' THR . 2.2 m-20 -62.2 -47.31 85.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.492 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.9 m -59.21 -37.95 78.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.425 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.87 HG13 HG23 ' A' ' 36' ' ' THR . 43.4 t -62.27 -45.73 98.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.449 ' HA ' ' CD2' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -66.48 -48.43 69.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.33 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.869 HG23 ' O ' ' A' ' 24' ' ' ASP . 50.8 p -66.35 -31.04 71.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.628 ' CG ' HG21 ' A' ' 35' ' ' ILE . 18.9 mmtm -83.35 -14.39 52.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.72 128.32 6.13 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.491 HD13 ' HZ ' ' A' ' 140' ' ' PHE . 2.4 mm? -67.29 -30.16 69.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.99 2.2 54.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.65 161.2 48.67 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.0 110.003 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -33.55 4.55 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.628 HG21 ' CG ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -52.12 -25.37 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.87 HG23 HG13 ' A' ' 26' ' ' VAL . 19.9 m -62.84 -49.17 75.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -38.45 91.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.34 -50.16 64.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.521 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -61.62 -47.3 86.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 36' ' ' THR . 76.4 t -59.91 -43.98 93.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.462 ' HG3' ' CD2' ' A' ' 137' ' ' LEU . 20.0 mt-10 -68.73 -24.64 64.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -61.49 -54.98 36.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.642 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -72.21 -48.42 43.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.562 ' HB3' HG22 ' A' ' 133' ' ' THR . 23.2 mtt -67.0 -10.6 51.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 41' ' ' GLU . 16.0 t -37.72 -31.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.996 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' MET . 3.5 p -109.78 161.54 23.82 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.02 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 149.19 36.46 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.737 HD13 HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -146.51 -172.35 3.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.804 HD21 ' HB2' ' A' ' 121' ' ' ALA . 0.3 OUTLIER -86.35 163.97 40.07 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.526 ' O ' HG23 ' A' ' 54' ' ' THR . 18.2 Cg_endo -75.06 -35.79 2.89 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.53 1.805 . . . . 0.0 110.976 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.74 -45.71 74.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.606 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.45 -33.98 76.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 49' ' ' LEU . 4.3 t -54.87 -47.06 75.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 50' ' ' PRO . 33.0 p -66.75 -33.19 75.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.399 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -66.33 -44.66 82.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.642 HD21 ' CD1' ' A' ' 43' ' ' LEU . 2.4 tp -67.58 -51.66 47.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 1.03 ' O ' HD12 ' A' ' 61' ' ' LEU . 11.3 mmt -57.93 -33.53 68.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.572 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 4.6 ttt180 -63.55 -37.33 86.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.348 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.414 HG12 ' CB ' ' A' ' 23' ' ' ALA . 46.7 t -68.12 -44.64 84.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.458 HG21 ' HE2' ' A' ' 140' ' ' PHE . 83.6 mt -71.03 -43.23 76.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.03 HD12 ' O ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -118.02 121.83 41.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.478 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -53.54 -168.44 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.45 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.99 -19.28 18.02 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.534 1.807 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.936 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.69 -59.05 3.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.936 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.91 4.48 4.65 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.488 1.783 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 58' ' ' ARG . 0.8 OUTLIER -77.2 -50.05 13.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.967 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.98 -30.68 68.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.914 ' HB3' HG22 ' A' ' 143' ' ' VAL . 8.3 mp -71.86 -42.15 67.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.516 ' CZ3' ' CE3' ' A' ' 73' ' ' TRP . 62.5 t90 -70.89 -40.6 72.12 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.5 mmt -62.95 -38.72 92.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -70.95 -42.09 70.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.56 -30.08 64.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.516 ' CE3' ' CZ3' ' A' ' 69' ' ' TRP . 17.0 t90 -72.05 -40.59 68.24 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.71 -45.61 93.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 25.0 t -68.16 -45.29 83.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -55.65 -45.55 77.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.784 ' HB3' HD11 ' A' ' 103' ' ' LEU . 3.4 mt -58.71 -50.38 74.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -59.11 -29.98 67.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.465 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -63.47 -35.21 79.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.389 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.534 HG11 HD11 ' A' ' 106' ' ' LEU . 2.6 t -70.73 -38.26 72.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.532 HG13 HG23 ' A' ' 101' ' ' THR . 1.4 mp -70.0 -50.42 48.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.27 94.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 79' ' ' THR . . . -57.95 -45.58 86.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.88 -35.12 79.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.5 m -68.32 -34.63 76.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.382 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -74.67 -43.21 56.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 110.291 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.12 120.86 13.06 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.86 3.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -128.52 3.87 5.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 0.2 OUTLIER -73.28 139.72 79.05 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.558 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -74.99 -24.36 12.93 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.24 -6.54 55.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 100' ' ' ARG . 0.7 OUTLIER -106.45 150.84 25.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.84 -133.99 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -173.42 48.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 0.782 . . . . 0.0 110.303 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -105.55 -144.18 12.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.65 0.04 52.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 110.263 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 167.02 51.28 0.03 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -74.11 -73.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.412 ' N ' ' OD1' ' A' ' 93' ' ' ASN . 50.4 mtt180 60.72 147.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.532 HG23 HG13 ' A' ' 81' ' ' ILE . 4.5 t -97.18 170.53 9.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.571 HD22 ' N ' ' A' ' 102' ' ' ASN . 0.5 OUTLIER -140.44 165.77 26.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.784 HD11 ' HB3' ' A' ' 77' ' ' LEU . 2.1 tp -63.87 -30.09 71.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -63.29 -45.44 91.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.236 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.25 -45.08 92.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.78 HD13 ' CD2' ' A' ' 77' ' ' LEU . 10.0 mt -74.04 -15.8 61.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.74 -51.94 17.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 107.49 18.74 9.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.13 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.683 HD12 HG13 ' A' ' 114' ' ' VAL . 12.0 tp -98.12 4.85 49.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.785 ' HB3' ' CE ' ' A' ' 113' ' ' MET . . . -58.85 141.68 52.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.3 130.56 10.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 91.33 -15.48 61.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.785 ' CE ' ' HB3' ' A' ' 110' ' ' ALA . 12.0 mtm -102.87 -17.64 15.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.683 HG13 HD12 ' A' ' 109' ' ' LEU . 2.4 t -76.74 122.73 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 87.63 3.16 81.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -138.59 102.21 7.93 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -61.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.471 ' HG3' ' CD1' ' A' ' 11' ' ' TRP . 3.0 tm0? -54.41 -50.68 67.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.16 -37.77 92.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.455 ' HG2' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -63.07 -44.41 95.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.278 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.804 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -66.47 -34.26 77.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.26 -22.61 57.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.711 ' O ' HD23 ' A' ' 123' ' ' LEU . 2.2 tt -79.07 -37.19 39.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.671 HD21 ' CE ' ' A' ' 113' ' ' MET . 0.7 OUTLIER -83.72 111.21 18.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.5 158.33 0.13 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 109.05 2.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 156.83 -40.11 0.56 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -32.94 74.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.753 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.601 ' HA ' HD12 ' A' ' 132' ' ' ILE . 4.9 mt -59.6 -43.56 93.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.0 t -62.98 -39.76 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.237 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.5 -38.83 72.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.601 HD12 ' HA ' ' A' ' 129' ' ' LEU . 17.3 mt -68.74 -38.75 79.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.562 HG22 ' HB3' ' A' ' 44' ' ' MET . 1.3 m -66.07 -48.9 69.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.379 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.04 96.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.4 m -67.8 -35.12 78.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.994 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.17 95.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.495 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -67.03 -39.66 87.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -34.44 77.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.254 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -70.95 -32.15 68.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.538 ' CZ ' ' CG2' ' A' ' 36' ' ' THR . 2.7 t80 -61.52 -64.23 1.01 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -53.97 -27.55 31.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 110.35 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -67.55 -30.81 70.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.914 HG22 ' HB3' ' A' ' 68' ' ' LEU . 20.2 t -84.94 -42.33 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.25 -41.5 88.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -74.64 -40.13 61.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.285 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -45.06 158.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -176.67 -84.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.48 102.82 51.76 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.298 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 57.66 4.63 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -103.21 150.92 23.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.81 81.42 0.94 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.584 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.2 Cg_endo -75.09 -29.12 8.42 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.45 1.763 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' TRP . . . . . 0.648 ' HA ' HD12 ' A' ' 156' ' ' ILE . 40.4 p90 -56.09 -21.41 22.0 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.05 -32.74 74.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -85.68 -21.99 28.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 153' ' ' TRP . 21.6 mt -76.27 120.59 26.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.598 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 43.9 m -127.63 135.3 50.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.429 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.565 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 6.1 tm0? -75.87 129.87 37.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -107.01 157.91 15.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.79 18.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.1 -15.87 37.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.004 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -105.42 135.44 46.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.45 149.44 20.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.571 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.3 OUTLIER -63.35 -52.37 62.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 1.039 HG23 HG21 ' A' ' 219' ' ' ILE . 1.8 p -63.56 -37.26 79.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -58.26 -47.96 81.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.645 ' CE2' HD12 ' A' ' 171' ' ' LEU . 90.5 t80 -67.31 -31.45 71.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 111.046 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.546 ' O ' HD12 ' A' ' 172' ' ' ILE . . . -63.44 -39.03 93.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -64.79 -46.67 81.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -59.78 -37.16 78.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.229 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.645 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.3 OUTLIER -72.06 -49.48 36.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.225 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.559 HG22 ' OE1' ' A' ' 176' ' ' GLU . 10.7 mt -57.83 -35.43 51.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -38.49 82.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.69 -51.69 39.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 0.926 HG13 HD12 ' A' ' 180' ' ' LEU . 58.1 t -59.49 -48.14 88.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.559 ' OE1' HG22 ' A' ' 172' ' ' ILE . 32.3 mt-10 -51.94 -38.7 57.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.277 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -102.38 34.74 5.47 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 59.3 p -124.36 166.5 15.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.971 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.44 85.98 6.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.926 HD12 HG13 ' A' ' 175' ' ' VAL . 21.1 mt -125.52 154.19 72.62 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.675 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.2 Cg_endo -75.03 163.47 35.22 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 65.65 6.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 37.4 t 179.49 -38.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.675 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -79.59 -10.44 59.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . 0.558 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 38.0 mtm180 -84.39 68.11 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.9 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 172.67 -56.45 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' PRO . . . . . 0.9 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -75.03 -27.73 9.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 41.4 t -66.28 -35.96 76.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.634 HD12 ' HG3' ' A' ' 215' ' ' PRO . 54.5 mt -68.71 -48.42 71.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' ILE . . . . . 0.913 HD11 ' C ' ' A' ' 214' ' ' THR . 45.2 mt -64.4 -36.23 76.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -62.56 -37.71 87.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' CYS . . . . . 0.52 ' HB3' HD11 ' A' ' 171' ' ' LEU . 9.6 m -59.58 -47.34 85.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 108.278 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' PHE . . . . . 0.562 ' HB3' HD13 ' A' ' 205' ' ' ILE . 11.7 m-30 -53.74 -36.29 62.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' ARG . . . . . 0.416 ' O ' ' NE2' ' A' ' 202' ' ' GLN . 9.1 ptp180 -101.37 12.08 38.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -92.84 -36.15 13.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.94 73.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 197' ' ' SER . . . . . . . . . . . . . 3.3 m -139.4 169.38 17.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 198' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 202' ' ' GLN . 2.3 mp0 -39.59 159.21 0.12 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -39.03 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.782 . . . . 0.0 111.038 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -50.27 68.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 17.6 mm -68.16 -37.05 77.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' GLN . . . . . 0.485 ' CB ' ' O ' ' A' ' 198' ' ' GLN . 2.1 tp60 -68.92 -45.09 71.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . 0.536 ' NE2' ' HB2' ' A' ' 207' ' ' ALA . 31.7 tp60 -64.33 -38.63 91.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.623 HD21 ' CG ' ' A' ' 225' ' ' ARG . 0.5 OUTLIER -61.81 -49.3 76.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.562 HD13 ' HB3' ' A' ' 193' ' ' PHE . 1.6 mt -64.83 -39.23 84.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -33.82 76.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 207' ' ' ALA . . . . . 0.536 ' HB2' ' NE2' ' A' ' 203' ' ' GLN . . . -88.81 0.32 56.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 208' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -61.42 156.41 52.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . 0.461 ' HD2' HD11 ' A' ' 212' ' ' LEU . 18.5 Cg_endo -74.98 153.3 41.79 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.781 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.3 18.91 4.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.021 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 5.4 m -99.94 -4.06 30.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 212' ' ' LEU . . . . . 0.734 ' O ' HG23 ' A' ' 213' ' ' THR . 0.2 OUTLIER -144.11 148.71 35.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.734 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.3 p -160.75 45.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 214' ' ' THR . . . . . 0.913 ' C ' HD11 ' A' ' 190' ' ' ILE . 1.4 m -122.46 149.86 56.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.356 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 215' ' ' PRO . . . . . 0.869 ' HD2' HG23 ' A' ' 214' ' ' THR . 18.3 Cg_endo -75.01 49.45 2.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.542 1.811 . . . . 0.0 110.982 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -146.86 -59.37 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -75.24 -34.29 61.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 0.793 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 218' ' ' ILE . . . . . 0.635 HD12 HD13 ' A' ' 212' ' ' LEU . 1.3 mp -57.62 -48.8 82.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 219' ' ' ILE . . . . . 1.039 HG21 HG23 ' A' ' 165' ' ' VAL . 4.7 mt -67.05 -41.9 87.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -58.82 -38.08 77.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.407 ' CE2' ' HA ' ' A' ' 208' ' ' ALA . 2.1 t80 -69.26 -48.62 61.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.51 HG22 ' HB3' ' A' ' 204' ' ' LEU . 24.9 t -60.46 -43.97 95.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.426 HD23 HE21 ' A' ' 226' ' ' GLN . 32.5 mt -66.32 -39.57 89.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.93 -42.61 99.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . 0.623 ' CG ' HD21 ' A' ' 204' ' ' LEU . 0.9 OUTLIER -73.4 -28.9 62.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . 0.426 HE21 HD23 ' A' ' 223' ' ' LEU . 4.0 mt-30 -62.66 -48.03 81.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -92.98 157.9 16.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 1.3 pp -125.03 157.26 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . -132.23 155.26 81.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.526 1.803 . . . . 0.0 111.007 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 2.4 m -103.59 132.94 20.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.399 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 12' ' ' THR . 18.3 Cg_endo -74.98 143.83 29.59 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.055 HD21 HD12 ' A' ' 19' ' ' ILE . 1.8 tt -65.71 152.14 44.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -96.05 110.99 54.8 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.16 11.23 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.45 1.763 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -50.54 72.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.9 mt -63.56 -47.01 83.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.055 HD12 HD21 ' A' ' 14' ' ' LEU . 13.6 mt -59.76 -37.09 69.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.4 m -60.78 -38.13 84.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.348 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -49.02 75.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.827 HD21 ' OE1' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -66.53 -40.25 89.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.478 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -64.22 -32.43 74.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.3 -44.78 95.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.493 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -62.67 -37.47 86.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.758 HG22 ' HA ' ' A' ' 36' ' ' THR . 1.4 t -58.73 -49.17 83.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -48.82 80.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.5 p -68.55 -23.74 64.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.539 ' CD ' HG21 ' A' ' 35' ' ' ILE . 6.0 mmtm -90.96 -14.07 32.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 96.08 125.39 4.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.432 1.082 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.71 HD21 ' CZ ' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -66.73 -29.5 69.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 0.738 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.72 2.49 53.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.58 166.15 26.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' MET . 18.3 Cg_endo -75.0 -46.71 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.539 HG21 ' CD ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -41.87 -28.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.759 ' O ' HG23 ' A' ' 40' ' ' VAL . 21.5 m -67.02 -49.31 65.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.421 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -64.41 -37.56 87.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.36 -51.95 26.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.827 ' OE1' HD21 ' A' ' 22' ' ' LEU . 9.3 mm-40 -59.55 -46.75 87.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 36' ' ' THR . 55.4 t -58.26 -39.9 75.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' SER . 35.2 mt-10 -71.98 -24.36 61.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -60.86 -54.87 39.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.617 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -70.29 -50.93 34.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.484 ' SD ' HD11 ' A' ' 137' ' ' LEU . 6.6 mtt -65.67 -10.56 37.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' GLU . 22.8 t -35.22 -39.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.79 162.05 22.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.023 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 147.55 33.86 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.778 HD13 HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -145.65 -178.19 5.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' A' ' 121' ' ' ALA . 0.3 OUTLIER -85.17 162.79 47.98 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.603 ' O ' HG23 ' A' ' 54' ' ' THR . 18.3 Cg_endo -75.04 -27.29 10.07 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.4 ' O ' ' OG1' ' A' ' 54' ' ' THR . 26.9 m80 -67.42 -51.45 51.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.583 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.461 ' OD2' ' N ' ' A' ' 49' ' ' LEU . 3.3 p30 -63.69 -31.96 73.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.348 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.778 HG23 HD13 ' A' ' 48' ' ' LEU . 1.3 t -54.04 -47.05 66.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 50' ' ' PRO . 43.5 p -66.58 -40.84 89.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.376 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -60.3 -40.77 91.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.617 HD21 ' CD1' ' A' ' 43' ' ' LEU . 15.1 tp -71.85 -49.74 35.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.563 ' HG2' ' CD1' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -57.65 -30.06 65.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 111.032 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 61' ' ' LEU . 3.9 ttt180 -72.28 -36.45 68.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.361 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.426 HG11 HG22 ' A' ' 19' ' ' ILE . 3.1 t -69.81 -47.93 67.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.478 HG12 ' CB ' ' A' ' 23' ' ' ALA . 29.9 mt -75.77 -43.78 39.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.819 HD11 ' HB2' ' A' ' 65' ' ' PRO . 0.2 OUTLIER -101.76 122.67 44.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.472 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -43.37 166.32 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.429 ' O ' ' HB3' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.99 -20.86 16.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.449 1.763 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.939 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -72.88 -58.78 2.51 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.939 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.0 -0.85 10.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.52 ' CE1' ' HE3' ' A' ' 70' ' ' MET . 25.3 t80 -63.53 -40.02 95.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.39 -30.0 70.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.728 ' HB3' HG22 ' A' ' 143' ' ' VAL . 8.2 mp -66.3 -48.6 69.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.734 ' CH2' ' CE3' ' A' ' 73' ' ' TRP . 22.5 t90 -59.82 -35.47 74.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.52 ' HE3' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -63.07 -44.96 94.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -62.94 -45.34 92.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.415 ' HB1' ' OE1' ' A' ' 142' ' ' GLU . . . -68.59 -37.39 79.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.734 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 15.6 t90 -61.69 -47.52 84.94 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.451 ' O ' ' NE2' ' A' ' 78' ' ' GLN . . . -53.76 -47.36 65.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.8 t -65.68 -45.54 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.76 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.409 ' O ' ' HB ' ' A' ' 79' ' ' THR . 1.5 mp0 -54.32 -43.72 71.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.706 ' HB3' HD11 ' A' ' 103' ' ' LEU . 3.0 mt -60.1 -47.09 87.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 74' ' ' GLY . 4.3 mt-30 -60.25 -36.11 77.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 76' ' ' GLN . 0.9 OUTLIER -58.17 -35.43 71.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.399 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 t -70.56 -34.33 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.805 HG13 HD13 ' A' ' 103' ' ' LEU . 19.8 mm -67.0 -49.7 71.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.23 85.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.2 -32.65 73.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.494 ' HA ' ' CD2' ' A' ' 90' ' ' HIS . . . -76.14 -50.16 15.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.58 -28.76 68.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -73.95 -43.26 58.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -120.29 116.82 32.14 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.87 3.76 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -152.37 26.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.332 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.494 ' CD2' ' HA ' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -89.7 140.78 28.08 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.612 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -75.01 -27.6 9.85 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.466 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -75.28 -12.18 60.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.4 ' CA ' ' HB ' ' A' ' 101' ' ' THR . 0.2 OUTLIER -109.27 141.75 41.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.362 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.71 -131.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.71 -56.91 4.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 118.69 -0.21 15.53 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.4 0.13 55.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.96 43.83 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -136.98 -73.23 0.43 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 0.756 . . . . 0.0 110.318 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 100' ' ' ARG . 4.1 ttp-105 61.24 148.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.539 HG23 HD12 ' A' ' 81' ' ' ILE . 10.1 t -71.07 151.92 44.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -133.1 143.0 49.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.805 HD13 HG13 ' A' ' 81' ' ' ILE . 1.6 tp -64.2 -29.58 70.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -38.92 91.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -44.43 96.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.504 HD13 ' CD2' ' A' ' 77' ' ' LEU . 16.6 mt -73.42 -30.89 63.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.87 -29.69 65.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 96.34 30.18 7.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.626 ' HA ' HG22 ' A' ' 114' ' ' VAL . 0.3 OUTLIER -103.94 4.79 35.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.78 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.649 ' O ' HG23 ' A' ' 114' ' ' VAL . . . -59.09 162.75 4.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.01 125.34 26.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.9 -6.09 83.79 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.566 1.166 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.547 ' HG2' HD12 ' A' ' 123' ' ' LEU . 7.5 mtt -103.02 -22.8 13.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 110' ' ' ALA . 2.3 t -73.41 123.49 28.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 90.29 0.15 77.27 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 16.0 m120 -134.88 103.97 10.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -64.46 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -54.34 -46.44 72.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.01 -41.05 99.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.543 1.152 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.594 ' OE1' HD11 ' A' ' 49' ' ' LEU . 1.5 tm0? -61.96 -44.02 97.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.693 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -65.95 -37.54 86.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.67 -15.16 61.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.547 HD12 ' HG2' ' A' ' 113' ' ' MET . 0.3 OUTLIER -86.31 -32.13 21.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.529 HD11 ' NE2' ' A' ' 120' ' ' GLN . 0.6 OUTLIER -90.1 115.78 27.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.55 158.01 0.17 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 108.76 2.79 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.519 1.799 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 151.76 -35.89 0.85 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.466 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 2.0 mt-10 -63.32 -41.38 98.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 0.761 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.86 -40.2 83.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.47 -40.0 82.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.32 -38.08 76.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 11.2 mt -68.91 -40.46 81.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.42 HG23 HD11 ' A' ' 48' ' ' LEU . 1.7 m -64.8 -47.0 79.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.409 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.59 -41.59 92.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.5 m -64.98 -34.31 78.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.83 -42.68 69.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.246 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.484 HD11 ' SD ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -61.7 -38.36 87.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -71.18 -34.26 70.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.05 -33.55 74.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.71 ' CZ ' HD21 ' A' ' 31' ' ' LEU . 6.2 t80 -66.02 -60.72 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -52.81 -24.92 9.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.497 ' O ' ' CD2' ' A' ' 146' ' ' LEU . 1.6 tt0 -69.14 -41.71 76.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.728 HG22 ' HB3' ' A' ' 68' ' ' LEU . 23.8 t -74.03 -42.99 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -58.05 -36.7 73.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.51 -41.01 61.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 142' ' ' GLU . 0.6 OUTLIER -127.98 120.04 26.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -118.03 84.94 2.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -107.24 102.94 46.17 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -32.43 5.36 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -67.5 106.09 2.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.554 ' HA2' ' CZ3' ' A' ' 153' ' ' TRP . . . 165.46 70.24 0.03 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.557 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo -75.0 -30.55 7.05 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.524 1.802 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' TRP . . . . . 0.824 ' CH2' HD11 ' A' ' 180' ' ' LEU . 44.9 p90 -51.71 -25.7 7.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 108.0 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.42 -33.59 75.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -82.19 -19.46 39.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.841 HG22 ' CZ ' ' A' ' 167' ' ' PHE . 9.1 mt -79.81 120.99 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.599 HG23 ' HD3' ' A' ' 196' ' ' LYS . 6.6 m -125.33 123.35 39.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.381 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.646 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 9.5 tp60 -67.6 129.31 39.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -123.72 166.92 16.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -19.67 17.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.793 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 44.6 m -71.96 -34.87 69.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -101.7 135.39 43.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.45 166.21 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 110.06 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.621 ' CE2' HG23 ' A' ' 219' ' ' ILE . 3.3 t80 -68.23 -50.04 56.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.835 HG22 HG21 ' A' ' 219' ' ' ILE . 25.4 t -68.18 -35.79 72.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -48.39 77.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.867 ' CE2' HD12 ' A' ' 171' ' ' LEU . 67.4 t80 -72.14 -30.89 65.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -65.28 -37.14 86.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -67.6 -46.53 72.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -63.01 -37.32 86.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.867 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.4 OUTLIER -71.23 -50.16 35.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.619 HG12 HD13 ' A' ' 189' ' ' ILE . 47.8 mt -57.55 -40.08 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -36.03 82.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.87 -47.84 64.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 0.508 HG13 HD12 ' A' ' 180' ' ' LEU . 44.3 t -62.07 -46.2 97.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -59.79 -47.3 86.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -69.65 -27.84 72.88 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 55.4 p -70.4 166.11 21.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.958 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -100.07 70.77 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.824 HD11 ' CH2' ' A' ' 153' ' ' TRP . 12.6 mt -97.74 160.01 29.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.641 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.2 Cg_endo -74.99 164.46 33.32 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.3 Cg_endo -75.06 77.13 3.22 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.4 OUTLIER 164.73 -30.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.029 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.641 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -83.07 -11.7 57.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . 0.559 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 63.4 mtm180 -86.53 70.36 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.884 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 171.76 -56.47 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' PRO . . . . . 0.884 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.2 Cg_endo -74.96 -31.49 6.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.528 1.804 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 63.9 t -64.14 -36.97 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.619 HD13 HG12 ' A' ' 172' ' ' ILE . 25.8 mt -67.95 -47.61 78.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' ILE . . . . . 0.501 HD11 ' CA ' ' A' ' 214' ' ' THR . 8.8 mt -69.07 -35.65 69.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.63 -40.63 83.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' CYS . . . . . 0.405 ' HB3' HD11 ' A' ' 171' ' ' LEU . 1.8 m -63.06 -47.84 81.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 108.296 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' PHE . . . . . 0.58 ' HB3' HD13 ' A' ' 205' ' ' ILE . 13.4 m-30 -53.74 -40.04 65.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' ARG . . . . . 0.452 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 3.8 ptm180 -93.28 7.66 43.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -87.01 -41.63 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 196' ' ' LYS . . . . . 0.599 ' HD3' HG23 ' A' ' 157' ' ' THR . 7.6 tttp -145.52 -89.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 197' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 196' ' ' LYS . 1.8 m 38.77 -158.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -84.16 168.81 19.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -45.44 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.42 -50.25 74.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 26.8 mm -64.58 -41.19 91.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' GLN . . . . . 0.419 ' NE2' ' O ' ' A' ' 194' ' ' ARG . 26.2 tp60 -63.72 -45.06 91.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -65.84 -32.71 74.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.249 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.844 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.4 OUTLIER -70.49 -49.31 49.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.58 HD13 ' HB3' ' A' ' 193' ' ' PHE . 1.4 mt -64.09 -45.87 95.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -33.97 73.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -90.84 5.02 50.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 208' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -63.81 158.56 60.32 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 153.68 41.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.21 20.23 4.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 42.9 m -101.84 -9.46 20.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.442 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 212' ' ' LEU . . . . . 0.753 ' O ' HG23 ' A' ' 213' ' ' THR . 0.3 OUTLIER -142.4 143.35 32.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.753 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.4 p -161.27 51.11 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 214' ' ' THR . . . . . 0.71 HG22 ' HD2' ' A' ' 215' ' ' PRO . 0.2 OUTLIER -126.87 158.52 68.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.428 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 215' ' ' PRO . . . . . 0.71 ' HD2' HG22 ' A' ' 214' ' ' THR . 18.5 Cg_endo -74.98 61.38 5.65 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 111.017 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -165.07 -61.0 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -74.18 -30.11 62.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 218' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 218' ' ' ILE . 0.4 OUTLIER -63.59 -42.55 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 219' ' ' ILE . . . . . 0.835 HG21 HG22 ' A' ' 165' ' ' VAL . 4.0 mt -76.18 -46.05 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.25 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -55.62 -45.02 77.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -60.41 -48.52 81.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.527 HG22 ' HB3' ' A' ' 204' ' ' LEU . 3.8 t -60.28 -50.36 80.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.608 HD11 ' CG2' ' A' ' 165' ' ' VAL . 94.7 mt -59.18 -36.3 75.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -49.0 71.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . 0.844 ' HB3' HD11 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -60.82 -37.69 82.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -54.43 -55.26 30.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 14.4 mttm 62.59 149.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 16.8 tt -108.72 -11.98 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . -85.62 154.93 59.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 3.7 t90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.8 p -132.79 105.13 12.81 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 125.44 9.33 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.99 102.49 4.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.413 ' CD ' HD12 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -106.49 136.54 19.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -29.8 7.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.797 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.411 ' CG ' ' N ' ' A' ' 18' ' ' LEU . 1.9 pttt -58.81 -50.19 74.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.413 HD12 ' CD ' ' A' ' 15' ' ' GLU . 42.6 mt -68.91 -44.84 72.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.544 HG23 ' CD1' ' A' ' 56' ' ' LEU . 25.0 mt -58.37 -37.56 64.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.9 m -65.71 -41.08 92.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -66.42 -45.32 80.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 26' ' ' VAL . 10.8 mt -65.58 -45.96 81.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.406 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -60.1 -39.13 85.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.823 ' O ' HG23 ' A' ' 28' ' ' THR . 0.2 OUTLIER -61.71 -44.54 96.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.516 HG22 ' CD ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -59.44 -37.3 77.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.527 ' CG1' HG23 ' A' ' 36' ' ' THR . 73.8 t -58.86 -44.48 90.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -48.37 73.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.823 HG23 ' O ' ' A' ' 24' ' ' ASP . 21.3 p -67.39 -28.13 67.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.568 ' CB ' HG21 ' A' ' 35' ' ' ILE . 9.4 mmtm -89.38 -14.45 35.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 96.07 125.62 4.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.79 -41.15 83.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.74 2.34 53.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 m -92.21 161.57 32.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.507 ' O ' ' CG1' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.0 103.66 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.456 1.766 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.568 HG21 ' CB ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER 163.37 -27.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.734 HG21 ' CE1' ' A' ' 140' ' ' PHE . 89.5 m -58.16 -48.92 78.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.482 ' SD ' HD23 ' A' ' 137' ' ' LEU . 29.7 mmt -64.13 -33.68 76.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.77 -52.26 26.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.516 ' CD ' HG22 ' A' ' 25' ' ' THR . 1.5 mt-10 -61.72 -43.84 98.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 36' ' ' THR . 70.4 t -64.53 -46.59 92.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.683 ' HG3' HD21 ' A' ' 137' ' ' LEU . 32.1 mt-10 -63.34 -24.8 68.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -66.76 -55.42 15.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.861 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -70.37 -46.54 63.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.503 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 25.1 mtt -70.51 -10.04 58.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 44' ' ' MET . 4.4 m -34.28 -36.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.005 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' MET . 1.1 m -105.76 164.97 13.91 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.89 35.79 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.512 1.796 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.784 HD13 HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -146.79 -179.63 6.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.601 HD21 ' HB2' ' A' ' 121' ' ' ALA . 3.1 mt -82.66 161.48 58.65 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.484 ' HB3' HG21 ' A' ' 132' ' ' ILE . 18.3 Cg_endo -74.95 -33.07 4.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.469 1.773 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -68.4 -44.3 75.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.593 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -33.06 74.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.784 HG23 HD13 ' A' ' 48' ' ' LEU . 2.7 t -54.69 -46.74 73.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 50' ' ' PRO . 33.9 p -65.83 -35.1 79.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -67.68 -44.23 78.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.861 HD21 ' CD1' ' A' ' 43' ' ' LEU . 9.2 tp -67.43 -47.0 71.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.494 ' HG3' ' CE2' ' A' ' 69' ' ' TRP . 12.0 mmt -59.63 -45.09 93.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 61' ' ' LEU . 4.2 ttt180 -55.33 -36.08 65.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.2 t -68.65 -34.34 64.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.695 HG21 ' HE2' ' A' ' 140' ' ' PHE . 52.5 mt -80.98 -44.45 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.555 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -116.97 130.59 56.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.485 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -51.26 -173.52 0.02 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -19.87 17.39 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.451 1.764 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.964 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -69.59 -59.42 4.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.964 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.02 3.05 5.97 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.421 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 24.0 t80 -74.18 -45.42 48.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.25 -31.15 71.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.643 HD13 ' HA ' ' A' ' 65' ' ' PRO . 6.6 mp -67.57 -43.13 81.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.625 ' CH2' HG12 ' A' ' 53' ' ' VAL . 54.1 t90 -67.64 -35.64 79.28 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.7 tpp -66.35 -36.22 82.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.78 -41.6 71.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.644 ' HB2' ' OE1' ' A' ' 142' ' ' GLU . . . -73.46 -37.15 65.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.576 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 16.4 t90 -60.08 -40.48 89.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 108.001 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.34 -40.79 98.15 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.439 1.087 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.5 t -67.97 -47.14 80.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.42 ' O ' ' HB ' ' A' ' 79' ' ' THR . 1.5 mp0 -60.66 -45.26 94.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.517 ' HA ' HD23 ' A' ' 77' ' ' LEU . 2.4 mt -55.87 -43.87 77.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -61.7 -35.08 76.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 76' ' ' GLN . 0.9 OUTLIER -62.59 -35.72 80.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.3 t -71.16 -35.21 57.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.648 HD11 HD12 ' A' ' 106' ' ' LEU . 11.3 mm -69.81 -50.22 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.4 -37.53 87.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 79' ' ' THR . . . -61.73 -49.03 78.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.65 91.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.3 m -62.26 -28.99 70.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.422 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -75.08 -42.77 56.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.27 115.74 21.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 54.82 3.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.791 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -143.48 15.87 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.46 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -81.21 136.91 49.41 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.577 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -74.97 -21.73 15.62 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.768 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.479 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -64.64 -21.99 66.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 90' ' ' HIS . 10.7 p30 -100.85 154.55 18.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 158.51 105.87 0.22 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -157.11 36.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.57 -122.79 6.49 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -76.73 0.07 21.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 99' ' ' GLU . . . -96.05 -50.56 1.9 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 98' ' ' GLY . 0.1 OUTLIER 35.97 40.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 0.731 . . . . 0.0 110.291 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.94 117.48 24.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 110.274 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.3 t -74.5 169.55 17.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -145.58 147.89 32.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.442 HD11 ' HB3' ' A' ' 77' ' ' LEU . 5.1 tp -63.57 -35.0 79.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.58 -45.45 86.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -56.8 -46.79 81.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.667 HD22 ' CG1' ' A' ' 132' ' ' ILE . 20.7 mt -69.88 -24.09 63.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -51.18 68.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.474 ' HA2' ' CE ' ' A' ' 113' ' ' MET . . . 105.51 24.26 7.17 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.093 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.807 HD12 HG11 ' A' ' 114' ' ' VAL . 24.4 tp -108.56 -3.42 18.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.542 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.33 139.63 54.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.19 137.79 55.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.3 -18.03 58.11 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.858 ' SD ' HD22 ' A' ' 123' ' ' LEU . 8.3 mtp -100.99 -38.48 8.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 0.742 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.807 HG11 HD12 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -77.91 136.14 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 94.29 3.28 63.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -161.76 117.61 1.3 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.413 ' O ' ' CG ' ' A' ' 120' ' ' GLN . 18.4 Cg_endo -74.98 -42.48 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -75.56 -25.64 57.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -74.3 -40.27 41.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.634 ' O ' HD12 ' A' ' 124' ' ' LEU . 10.4 pt20 -65.93 -40.36 91.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 0.795 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.601 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -66.45 -38.06 86.53 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.62 -19.79 54.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.858 HD22 ' SD ' ' A' ' 113' ' ' MET . 5.3 tt -83.72 -42.57 16.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.757 HD21 ' CE ' ' A' ' 113' ' ' MET . 0.4 OUTLIER -79.68 104.58 10.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.414 ' N ' ' HD2' ' A' ' 125' ' ' ARG . 0.2 OUTLIER -41.29 158.89 0.18 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 108.86 2.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.478 1.778 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 153.19 -48.91 0.52 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.479 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 17.6 mt-10 -60.48 -31.65 70.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' A' ' 132' ' ' ILE . 11.1 mt -57.8 -48.72 78.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 42.7 t -59.52 -39.35 79.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.25 -41.79 84.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.667 ' CG1' HD22 ' A' ' 106' ' ' LEU . 19.4 mt -68.95 -39.02 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.441 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 15.4 m -64.45 -45.02 89.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.412 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.5 98.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.1 t -69.02 -39.3 79.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.021 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -60.93 -41.95 97.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.683 HD21 ' HG3' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -63.09 -45.52 91.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.49 -30.76 71.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.527 ' HB3' ' NE1' ' A' ' 69' ' ' TRP . . . -67.74 -33.62 75.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.734 ' CE1' HG21 ' A' ' 36' ' ' THR . 1.8 t80 -66.75 -46.4 75.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -61.43 -26.86 68.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.644 ' OE1' ' HB2' ' A' ' 72' ' ' ALA . 1.1 tm-20 -69.97 -41.96 73.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.541 HG22 ' HB3' ' A' ' 68' ' ' LEU . 41.7 t -76.14 -42.28 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -57.08 -42.29 80.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.85 -38.08 87.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.251 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.43 HD12 ' OE2' ' A' ' 142' ' ' GLU . 0.2 OUTLIER -80.71 135.59 36.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -74.66 114.94 13.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -93.7 113.24 59.86 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 168.37 24.99 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.468 1.773 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -104.01 150.39 24.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -43.07 148.23 0.68 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 155' ' ' ASP . 18.2 Cg_endo -74.97 -47.05 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.425 1.75 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' TRP . . . . . 0.806 ' HA ' HD12 ' A' ' 156' ' ' ILE . 1.4 p90 -51.4 -35.76 40.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 108.013 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.16 -32.87 73.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 152' ' ' PRO . 3.4 t0 -79.9 -22.06 43.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.806 HD12 ' HA ' ' A' ' 153' ' ' TRP . 49.0 mt -78.78 120.81 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 1.005 HG21 ' HE2' ' A' ' 196' ' ' LYS . 24.6 m -129.12 137.13 51.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.384 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.648 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 0.1 OUTLIER -71.73 129.81 39.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -126.07 164.44 19.64 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -28.06 9.53 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 9.1 t -79.39 -11.82 59.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.038 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -114.3 135.05 54.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 167' ' ' PHE . 0.4 OUTLIER -58.13 139.2 55.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.973 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.757 ' CE2' HG23 ' A' ' 219' ' ' ILE . 18.8 t80 -65.1 -52.16 57.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.836 HG23 ' CG2' ' A' ' 219' ' ' ILE . 0.3 OUTLIER -65.35 -45.52 93.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.435 ' N ' ' CG1' ' A' ' 165' ' ' VAL . 5.4 t70 -60.35 -44.45 95.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.648 ' CZ ' ' N ' ' A' ' 158' ' ' GLN . 47.5 t80 -64.96 -41.77 95.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.407 ' O ' HD12 ' A' ' 172' ' ' ILE . . . -56.89 -37.87 72.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -63.34 -43.54 97.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -63.22 -37.55 87.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.586 HD12 ' CZ ' ' A' ' 167' ' ' PHE . 0.5 OUTLIER -70.82 -45.14 65.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.526 HG12 HD13 ' A' ' 189' ' ' ILE . 13.6 mt -61.68 -41.98 92.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.45 -35.95 82.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.454 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -68.49 -51.78 39.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 0.763 HG13 HD12 ' A' ' 180' ' ' LEU . 47.3 t -58.84 -47.62 88.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -53.06 -39.79 63.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -98.63 30.13 10.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 31.7 p -119.13 165.88 13.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 110.017 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -88.44 79.64 7.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.763 HD12 HG13 ' A' ' 175' ' ' VAL . 18.2 mt -121.92 152.64 59.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.63 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.4 Cg_endo -74.95 164.56 33.17 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.4 Cg_endo -74.96 79.42 2.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.4 OUTLIER 161.19 -27.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.018 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.63 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -81.71 -11.77 58.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . 0.514 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 90.3 mtm180 -85.02 70.35 10.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.892 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 175.1 -57.05 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' PRO . . . . . 0.892 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.2 Cg_endo -75.0 -28.16 9.4 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.477 1.777 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 184' ' ' ALA . 74.3 t -67.45 -45.03 86.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.62 HG22 ' CZ ' ' A' ' 193' ' ' PHE . 51.9 mt -63.16 -47.84 90.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' ILE . . . . . 0.626 HG23 HG21 ' A' ' 218' ' ' ILE . 26.2 mt -66.84 -36.62 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . 0.4 ' C ' ' OD1' ' A' ' 191' ' ' ASP . 16.0 t0 -62.67 -41.1 98.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' CYS . . . . . 0.401 ' HB3' HD11 ' A' ' 171' ' ' LEU . 3.7 m -56.4 -47.23 79.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 108.294 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' PHE . . . . . 0.62 ' CZ ' HG22 ' A' ' 189' ' ' ILE . 10.7 m-30 -53.53 -36.62 61.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' ARG . . . . . 0.574 ' HB3' HG21 ' A' ' 205' ' ' ILE . 0.7 OUTLIER -102.81 16.58 26.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 12.7 tm0? -97.96 -34.46 10.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 196' ' ' LYS . . . . . 1.005 ' HE2' HG21 ' A' ' 157' ' ' THR . 1.8 ttpm? -168.54 73.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 197' ' ' SER . . . . . 0.419 ' HB2' ' NE2' ' A' ' 158' ' ' GLN . 7.2 p -138.88 165.66 26.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -43.87 167.6 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -41.08 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.423 1.749 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -63.86 -43.06 97.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 24.4 mm -67.99 -45.2 84.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' GLN . . . . . 0.42 ' O ' ' NE2' ' A' ' 202' ' ' GLN . 28.2 tp60 -64.38 -48.38 75.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -59.99 -27.92 67.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.833 HD21 ' CB ' ' A' ' 225' ' ' ARG . 0.3 OUTLIER -70.19 -49.05 54.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.574 HG21 ' HB3' ' A' ' 194' ' ' ARG . 0.5 OUTLIER -64.4 -44.67 97.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 206' ' ' ARG . . . . . 0.414 ' HG3' ' NE2' ' A' ' 202' ' ' GLN . 10.6 mtt-85 -64.05 -33.69 76.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -92.65 4.96 52.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 208' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -69.95 159.2 85.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 154.81 42.79 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.5 18.33 8.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 1.5 m -98.56 -14.95 19.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.381 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 212' ' ' LEU . . . . . 0.639 ' O ' HG23 ' A' ' 213' ' ' THR . 0.3 OUTLIER -135.86 141.36 44.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 212' ' ' LEU . 3.8 p -158.42 45.06 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.387 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 214' ' ' THR . . . . . 0.442 ' CA ' HD11 ' A' ' 190' ' ' ILE . 22.3 p -121.06 158.59 52.26 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.442 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 55.37 3.94 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -161.72 -51.95 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -74.67 -33.96 62.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 218' ' ' ILE . . . . . 0.626 HG21 HG23 ' A' ' 190' ' ' ILE . 5.2 mm -64.29 -47.91 87.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 219' ' ' ILE . . . . . 0.836 ' CG2' HG23 ' A' ' 165' ' ' VAL . 4.4 mt -67.89 -46.1 82.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -39.39 79.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.487 ' CZ ' HD23 ' A' ' 204' ' ' LEU . 2.8 t80 -68.33 -46.84 69.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.42 HG13 HD13 ' A' ' 204' ' ' LEU . 9.3 t -60.78 -46.61 95.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.73 HD11 ' CG2' ' A' ' 165' ' ' VAL . 16.0 mt -59.49 -36.33 75.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.21 -45.94 68.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . 0.833 ' CB ' HD21 ' A' ' 204' ' ' LEU . 1.7 tpm_? -61.29 -43.92 98.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -51.82 -55.29 20.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.13 161.85 29.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 7.9 mt -121.03 128.86 76.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . -150.96 86.21 4.95 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 111.021 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.411 ' CE2' ' HG2' ' A' ' 117' ' ' PRO . 1.6 m-90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.9 p -103.63 105.56 48.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.1 33.44 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.477 1.778 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.832 ' CD1' HD11 ' A' ' 19' ' ' ILE . 1.2 pt? -60.42 156.77 15.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -81.13 114.17 46.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.312 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -24.13 13.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.524 1.802 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.83 -50.52 68.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.62 -45.38 90.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.832 HD11 ' CD1' ' A' ' 14' ' ' LEU . 71.5 mt -59.81 -37.32 71.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.6 m -57.89 -38.09 75.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.413 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -48.71 75.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.659 HD21 ' HG3' ' A' ' 39' ' ' GLU . 2.8 tt -66.9 -37.54 84.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.559 ' HB2' HG12 ' A' ' 60' ' ' ILE . . . -66.49 -34.23 77.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.748 ' O ' HG23 ' A' ' 28' ' ' THR . 22.2 m-20 -61.87 -38.27 87.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.479 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.5 m -65.98 -37.11 85.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.831 ' CG1' HG23 ' A' ' 36' ' ' THR . 3.4 t -60.49 -49.32 84.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -60.7 -48.82 80.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.748 HG23 ' O ' ' A' ' 24' ' ' ASP . 68.5 p -65.11 -30.17 71.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.407 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.713 ' CB ' HG21 ' A' ' 35' ' ' ILE . 11.1 mmtt -83.22 -14.11 53.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.96 123.68 5.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.736 HD11 ' HE1' ' A' ' 140' ' ' PHE . 0.7 OUTLIER -67.15 -26.66 66.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.749 . . . . 0.0 109.261 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -93.38 2.19 56.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.4 m -85.87 157.47 57.42 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 110.027 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.41 20.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.713 HG21 ' CB ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -63.56 -24.06 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.831 HG23 ' CG1' ' A' ' 26' ' ' VAL . 87.7 m -61.98 -49.88 74.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.394 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 37.1 mmt -64.89 -35.09 80.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.92 -52.59 34.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.659 ' HG3' HD21 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -60.77 -47.85 84.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 36' ' ' THR . 70.6 t -60.52 -49.33 84.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.625 ' HG3' HD22 ' A' ' 137' ' ' LEU . 28.6 mt-10 -58.7 -24.12 60.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -65.43 -54.74 24.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.455 HD11 HD21 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -72.74 -40.77 65.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.572 ' SD ' HD11 ' A' ' 137' ' ' LEU . 25.7 mtt -76.09 -9.71 58.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' GLU . 3.5 m -34.62 -35.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 44' ' ' MET . 45.9 m -100.87 156.24 35.39 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.975 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 149.51 36.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.423 1.749 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.734 HD13 HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -145.27 -175.0 4.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.85 HD21 ' HB2' ' A' ' 121' ' ' ALA . 0.3 OUTLIER -88.17 165.29 29.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.459 ' O ' HG23 ' A' ' 54' ' ' THR . 18.3 Cg_endo -74.99 -27.7 9.81 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.439 1.757 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.439 ' O ' ' OG1' ' A' ' 54' ' ' THR . 7.5 t-160 -67.27 -51.34 54.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.636 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 1.4 t70 -64.77 -31.65 72.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 49' ' ' LEU . 3.0 t -54.61 -47.09 72.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 50' ' ' PRO . 72.6 p -67.94 -37.58 81.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.469 ' CG ' ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -63.7 -45.41 90.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.469 ' N ' ' CG ' ' A' ' 55' ' ' ASN . 2.7 tp -69.68 -51.4 34.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.568 ' HG3' ' CZ2' ' A' ' 69' ' ' TRP . 15.2 mmt -57.66 -29.52 64.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 4.3 ttt180 -69.67 -34.19 73.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 t -74.07 -48.07 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.559 HG12 ' HB2' ' A' ' 23' ' ' ALA . 5.6 mt -74.39 -45.49 46.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.803 HD23 ' CE1' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -90.21 131.86 35.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.468 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -57.21 173.83 2.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.504 ' O ' ' CB ' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -75.04 -47.46 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.754 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -60.92 -51.88 76.25 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.754 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.03 2.66 6.4 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 58' ' ' ARG . 4.0 t80 -68.62 -48.63 63.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.94 -33.64 70.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.479 ' HG ' ' HA ' ' A' ' 65' ' ' PRO . 9.1 mt -62.23 -46.41 88.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.716 ' CZ3' ' CE3' ' A' ' 73' ' ' TRP . 65.8 t90 -58.56 -42.08 87.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 108.003 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 11.3 mmt -63.85 -33.85 76.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -71.04 -44.89 64.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.487 ' HB2' ' OE2' ' A' ' 142' ' ' GLU . . . -73.28 -30.73 63.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.716 ' CE3' ' CZ3' ' A' ' 69' ' ' TRP . 15.4 t90 -69.17 -49.35 57.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 107.967 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.77 -48.94 60.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 25.1 t -68.1 -43.48 85.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.411 ' O ' ' HB ' ' A' ' 79' ' ' THR . 54.4 mm-40 -55.13 -46.31 75.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.257 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.803 ' CD2' HD13 ' A' ' 106' ' ' LEU . 2.2 mt -56.86 -50.16 73.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.517 ' HA ' HD13 ' A' ' 103' ' ' LEU . 38.1 mt-30 -59.64 -33.62 71.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.484 ' O ' ' CB ' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -61.97 -35.73 79.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.456 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.532 HG13 ' CE1' ' A' ' 90' ' ' HIS . 3.0 t -71.91 -34.96 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.4 mm -71.18 -50.3 42.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.421 ' O ' HG22 ' A' ' 85' ' ' THR . . . -66.06 -38.55 88.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 79' ' ' THR . . . -62.6 -27.26 69.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.08 -50.52 14.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.421 HG22 ' O ' ' A' ' 82' ' ' ALA . 1.2 t -63.81 -32.08 73.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.369 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.8 ttt85 -74.68 -41.52 60.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.71 117.7 12.12 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 55.07 3.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.46 1.768 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -135.09 14.08 3.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.532 ' CE1' HG13 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -82.46 136.86 45.36 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.573 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.444 ' O ' ' NH1' ' A' ' 125' ' ' ARG . 18.2 Cg_endo -75.01 -21.8 15.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.769 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.52 ' HB1' ' OE1' ' A' ' 128' ' ' GLU . . . -72.92 -15.86 61.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.503 ' OD1' ' CB ' ' A' ' 90' ' ' HIS . 2.8 p-10 -121.08 154.39 36.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 137.69 113.03 1.15 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.127 . . . . 0.0 111.054 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -179.58 36.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 0.791 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 155.51 -153.95 25.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -89.63 0.02 57.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 175.45 47.38 0.06 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.543 1.152 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -56.56 -56.92 15.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 0.763 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 65.7 123.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.1 t -72.74 170.12 15.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -136.28 145.48 45.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.621 HD11 ' HB3' ' A' ' 77' ' ' LEU . 13.7 tp -58.45 -45.85 87.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.523 ' HA ' ' CG ' ' A' ' 107' ' ' LYS . 13.9 t0 -53.8 -37.65 63.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -35.39 60.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.803 HD13 ' CD2' ' A' ' 77' ' ' LEU . 62.6 mt -86.42 -23.91 25.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.523 ' CG ' ' HA ' ' A' ' 104' ' ' ASP . 61.7 mmtt -55.92 -48.82 75.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 100.69 13.33 35.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.656 ' HA ' HG22 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -97.98 0.78 47.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.306 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.88 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.97 147.7 33.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -58.2 130.77 48.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 91.09 -15.16 61.65 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.88 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 35.9 mtp -102.89 -20.89 14.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 0.79 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.656 HG22 ' HA ' ' A' ' 109' ' ' LEU . 2.3 t -77.29 126.29 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 82.31 3.22 90.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -138.05 101.19 8.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.76 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.411 ' HG2' ' CE2' ' A' ' 11' ' ' TRP . 18.2 Cg_endo -75.04 -65.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -43.55 70.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.36 -38.33 96.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.533 ' CG ' HD11 ' A' ' 124' ' ' LEU . 11.0 tt0 -63.9 -44.51 92.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.759 . . . . 0.0 110.306 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.85 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -63.38 -32.07 73.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.96 -24.76 55.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.775 ' O ' HD23 ' A' ' 123' ' ' LEU . 2.8 tt -79.65 -42.22 25.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.667 HD21 ' CE ' ' A' ' 113' ' ' MET . 1.2 mt -75.69 112.57 12.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.444 ' NH1' ' O ' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -38.43 157.67 0.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 108.82 2.8 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 147.18 -33.13 1.36 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.555 ' OE1' HD21 ' A' ' 106' ' ' LEU . 3.6 mm-40 -61.61 -39.63 91.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -39.08 84.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 41.8 t -60.15 -39.75 81.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.8 -39.08 83.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 4.2 mt -67.36 -39.03 81.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.503 ' O ' HD12 ' A' ' 137' ' ' LEU . 25.1 m -67.79 -46.65 71.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.424 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.19 -48.25 80.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 9.4 p -64.04 -35.1 79.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.02 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.06 -42.85 99.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.625 HD22 ' HG3' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -69.71 -42.18 74.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.83 -35.75 77.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.99 -32.51 65.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.803 ' CE1' HD23 ' A' ' 61' ' ' LEU . 1.2 t80 -69.1 -63.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.962 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -25.07 33.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.487 ' OE2' ' HB2' ' A' ' 72' ' ' ALA . 32.0 tt0 -69.49 -42.24 75.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.403 HG21 ' N ' ' A' ' 69' ' ' TRP . 37.8 t -73.19 -20.55 18.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -72.96 -41.59 64.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -75.74 -44.95 39.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.674 ' O ' ' HB2' ' A' ' 147' ' ' ALA . 21.6 tp 57.16 163.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 146' ' ' LEU . . . 163.83 116.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -117.89 110.37 40.18 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 126.82 10.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -104.0 152.01 22.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 155.51 77.01 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.105 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.57 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo -75.02 -47.16 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.802 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' TRP . . . . . 0.767 ' CH2' HD11 ' A' ' 180' ' ' LEU . 30.7 p90 -101.03 -18.73 16.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 108.004 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.74 -32.68 73.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -79.65 -20.17 47.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.61 HG22 ' CE1' ' A' ' 167' ' ' PHE . 10.7 mt -83.58 120.83 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.658 HG22 ' HD3' ' A' ' 196' ' ' LYS . 35.9 p -130.65 130.63 44.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.575 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 34.4 tp60 -71.51 129.84 39.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -116.2 159.64 13.78 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.516 1.135 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -21.13 16.16 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.782 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 53.3 m -83.88 -21.31 32.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -102.35 135.76 43.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.14 132.8 54.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.994 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.869 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.9 OUTLIER -56.03 -51.73 66.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.989 HG23 HG21 ' A' ' 219' ' ' ILE . 0.6 OUTLIER -63.02 -44.22 99.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.417 ' N ' ' CG1' ' A' ' 165' ' ' VAL . 21.5 t0 -56.68 -47.94 78.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.61 ' CE1' HG22 ' A' ' 156' ' ' ILE . 61.2 t80 -67.33 -41.5 85.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.5 -41.84 73.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -61.04 -46.53 90.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 7.0 mmm-85 -58.73 -37.57 76.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.565 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.7 OUTLIER -71.11 -45.69 63.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.5 HG12 HD13 ' A' ' 189' ' ' ILE . 46.8 mt -60.01 -37.06 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.89 -39.11 83.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -67.58 -48.2 67.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 0.563 HG21 HG13 ' A' ' 189' ' ' ILE . 53.9 t -61.72 -47.65 92.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.497 ' OE2' ' CG2' ' A' ' 172' ' ' ILE . 3.9 mt-10 -56.24 -33.92 65.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -99.2 29.92 10.89 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 82.7 p -125.53 166.11 17.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 0.763 . . . . 0.0 110.018 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -94.41 89.38 5.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.767 HD11 ' CH2' ' A' ' 153' ' ' TRP . 12.3 mt -123.92 156.94 64.88 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.651 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.3 Cg_endo -75.01 165.54 31.09 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.523 1.801 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . 0.434 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.2 Cg_endo -75.01 77.04 3.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 1.0 OUTLIER 164.38 -31.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.651 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -79.7 -11.85 59.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . 0.567 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 22.0 mtm180 -87.47 67.7 9.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.875 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 172.18 -56.29 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' PRO . . . . . 0.875 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.2 Cg_endo -75.02 -26.91 10.43 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 55.7 t -68.1 -41.94 84.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.563 HG13 HG21 ' A' ' 175' ' ' VAL . 19.3 mt -68.53 -47.67 75.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' ILE . . . . . 0.747 HD11 ' C ' ' A' ' 214' ' ' THR . 81.7 mt -66.61 -37.68 80.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 187' ' ' PRO . 8.3 t70 -67.79 -40.45 83.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.366 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.41 -42.59 78.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 108.262 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' PHE . . . . . 0.494 ' CZ ' HG22 ' A' ' 189' ' ' ILE . 10.8 m-30 -58.46 -50.43 73.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' ARG . . . . . 0.461 ' HB3' HG21 ' A' ' 205' ' ' ILE . 23.6 ptt180 -86.26 13.6 7.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . 0.409 ' O ' ' NE2' ' A' ' 195' ' ' GLN . 1.1 tm0? -119.81 -4.73 10.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 196' ' ' LYS . . . . . 0.658 ' HD3' HG22 ' A' ' 157' ' ' THR . 0.0 OUTLIER -146.56 -59.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 197' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 193' ' ' PHE . 1.3 p -37.05 153.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.951 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -45.19 170.14 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 110.318 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -33.87 4.32 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.553 1.817 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.68 -50.54 72.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 9.1 mm -69.1 -36.03 71.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -66.67 -38.9 87.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -61.76 -37.79 85.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.452 HD23 ' CZ ' ' A' ' 221' ' ' TYR . 0.3 OUTLIER -63.73 -43.75 95.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.475 ' O ' ' HB3' ' A' ' 208' ' ' ALA . 0.6 OUTLIER -67.72 -44.91 85.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -61.57 -33.97 74.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.327 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -89.83 4.24 50.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 208' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -61.3 159.74 28.37 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . 0.663 ' HD2' HD11 ' A' ' 212' ' ' LEU . 18.5 Cg_endo -74.95 155.15 43.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.05 18.14 5.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 1.7 m -104.35 -10.11 18.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 212' ' ' LEU . . . . . 0.709 ' O ' HG23 ' A' ' 213' ' ' THR . 0.5 OUTLIER -140.45 140.25 35.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 212' ' ' LEU . 2.0 p -160.13 45.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 214' ' ' THR . . . . . 0.747 ' C ' HD11 ' A' ' 190' ' ' ILE . 18.0 p -123.03 157.99 58.89 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 55.23 3.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -157.53 -58.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -73.88 -30.33 62.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.273 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 218' ' ' ILE . . . . . 0.68 HG12 HD13 ' A' ' 190' ' ' ILE . 1.3 mp -63.96 -44.72 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 219' ' ' ILE . . . . . 0.989 HG21 HG23 ' A' ' 165' ' ' VAL . 3.3 mt -70.93 -50.16 44.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -56.37 -31.3 63.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.452 ' CZ ' HD23 ' A' ' 204' ' ' LEU . 1.0 OUTLIER -71.92 -49.1 40.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.437 HG22 ' HB3' ' A' ' 204' ' ' LEU . 23.7 t -61.02 -50.98 78.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 68.9 mt -59.29 -39.08 81.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -65.64 -37.28 86.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . 0.419 ' CG ' HD21 ' A' ' 204' ' ' LEU . 4.0 tpt180 -70.75 -41.22 72.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -52.51 -48.73 65.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 50.42 -179.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 228' ' ' ILE . . . . . 0.464 ' O ' ' HB3' ' A' ' 229' ' ' ALA . 23.3 pt -89.73 -40.37 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 229' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 228' ' ' ILE . . . 69.35 156.11 0.15 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.36 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.2 0 O-C-N 124.457 1.767 . . . . 0.0 110.987 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 19.0 t90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 0.9 OUTLIER -129.23 142.09 44.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.402 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 12' ' ' THR . 18.3 Cg_endo -74.92 132.57 15.68 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.798 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.445 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -62.61 100.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.467 ' O ' ' CG1' ' A' ' 19' ' ' ILE . 0.4 OUTLIER -132.46 139.05 33.56 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 15' ' ' GLU . 18.3 Cg_endo -75.0 -39.46 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.479 1.778 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -68.15 -43.66 77.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.95 -43.66 74.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.568 HG23 ' CD1' ' A' ' 56' ' ' LEU . 31.1 mt -58.82 -37.08 64.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.0 m -64.9 -39.86 94.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.409 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -48.42 68.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.644 HD23 ' CD ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -64.26 -40.67 96.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.563 ' HB1' ' HA ' ' A' ' 60' ' ' ILE . . . -60.91 -37.79 83.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.54 -43.1 99.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.488 HG22 ' OE1' ' A' ' 39' ' ' GLU . 1.3 m -58.74 -36.61 74.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 110.419 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.74 HG13 HG23 ' A' ' 36' ' ' THR . 3.6 t -61.88 -42.2 93.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -67.22 -48.91 66.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.9 p -68.28 -33.99 75.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 33' ' ' SER . 13.3 mmtt -81.1 -14.41 57.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.45 127.18 2.75 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.556 ' CD2' ' CZ ' ' A' ' 140' ' ' PHE . 0.1 OUTLIER -67.83 -33.16 74.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.01 2.63 56.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -95.48 156.13 37.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 0.0 109.983 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.04 99.65 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.522 1.801 . . . . 0.0 111.037 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.495 HG21 ' HB3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER 164.3 -31.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.74 HG23 HG13 ' A' ' 26' ' ' VAL . 18.2 m -62.69 -48.94 77.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.393 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -44.32 93.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.12 -40.6 90.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.644 ' CD ' HD23 ' A' ' 22' ' ' LEU . 1.5 mt-10 -64.37 -48.39 75.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.646 HG21 ' CE2' ' A' ' 140' ' ' PHE . 97.5 t -62.86 -41.38 92.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 45' ' ' SER . 0.7 OUTLIER -69.93 -24.73 63.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -61.66 -54.95 35.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.824 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -71.06 -37.98 72.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.57 ' SD ' HD12 ' A' ' 137' ' ' LEU . 9.7 mtt -74.2 -10.96 60.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' GLU . 35.3 t -36.33 -33.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.949 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -109.04 166.6 10.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.23 37.79 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.464 1.771 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.42 ' CD1' ' OG1' ' A' ' 133' ' ' THR . 0.3 OUTLIER -153.95 163.16 40.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.649 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.3 mt -67.65 163.72 45.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.545 ' O ' HG23 ' A' ' 54' ' ' THR . 18.4 Cg_endo -74.98 -30.15 7.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.427 ' O ' ' OG1' ' A' ' 54' ' ' THR . 0.3 OUTLIER -67.52 -41.89 83.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.563 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 0.5 OUTLIER -63.96 -32.01 73.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 49' ' ' LEU . 61.5 t -60.23 -44.13 94.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.407 1.067 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 50' ' ' PRO . 28.6 p -66.78 -45.73 77.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.459 ' CG ' ' N ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -63.65 -42.56 98.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.824 HD21 ' CD1' ' A' ' 43' ' ' LEU . 8.3 tp -65.84 -52.22 52.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.529 ' SD ' HD21 ' A' ' 61' ' ' LEU . 10.8 mmt -57.69 -41.32 81.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.485 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 5.8 ttt85 -55.87 -35.47 66.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.483 HG12 ' CB ' ' A' ' 23' ' ' ALA . 48.4 t -74.02 -34.19 38.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.563 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 64.2 mt -77.59 -44.14 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.675 HD22 ' CE1' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -121.11 137.56 54.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.512 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -62.6 -166.44 0.6 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.466 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.92 -25.74 11.75 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.541 1.811 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.908 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -68.76 -57.41 8.1 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.908 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.97 2.38 6.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.485 ' CE1' ' HB2' ' A' ' 58' ' ' ARG . 0.8 OUTLIER -73.55 -51.7 16.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.94 -28.95 69.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.479 ' C ' HG21 ' A' ' 143' ' ' VAL . 5.1 mp -67.07 -48.54 67.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.656 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 25.2 t90 -71.18 -41.27 70.55 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -46.37 89.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -62.58 -46.95 85.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.52 -35.28 79.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.656 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 11.2 t90 -56.6 -42.84 79.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 107.965 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.405 ' O ' ' NE2' ' A' ' 78' ' ' GLN . . . -61.85 -40.11 98.4 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.128 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.0 t -68.28 -47.86 76.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.756 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.433 ' NE2' ' HA ' ' A' ' 76' ' ' GLN . 18.5 mm100 -59.87 -45.58 92.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.599 ' HB3' HD11 ' A' ' 103' ' ' LEU . 2.6 mt -60.94 -45.02 96.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.452 ' HA ' HD13 ' A' ' 103' ' ' LEU . 38.9 mt-30 -59.95 -36.61 77.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 76' ' ' GLN . 0.9 OUTLIER -58.72 -40.61 84.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.398 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 t -66.47 -37.41 79.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.475 HD12 HG23 ' A' ' 101' ' ' THR . 10.9 mm -69.44 -38.99 78.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.0 -36.99 75.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.28 -49.38 72.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.13 -47.33 77.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.2 m -58.5 -39.3 79.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -75.21 -42.83 54.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.19 114.78 20.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.91 3.78 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.478 1.778 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.59 4.82 5.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.434 ' O ' ' CG ' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -82.19 134.14 49.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.59 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -20.25 17.07 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.536 1.808 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.453 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -59.97 -15.97 26.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.48 ' O ' ' OD1' ' A' ' 93' ' ' ASN . 45.1 p30 -90.68 155.62 18.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.68 -74.27 0.33 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.126 . . . . 0.0 111.052 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -125.13 -45.73 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -176.41 -130.63 1.37 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -76.99 -0.23 23.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 0.798 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.98 -43.33 7.2 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.39 -51.09 3.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 0.812 . . . . 0.0 110.239 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.6 ttm-85 61.33 141.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.475 HG23 HD12 ' A' ' 81' ' ' ILE . 4.0 t -70.84 166.49 20.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -143.89 131.57 21.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.599 HD11 ' HB3' ' A' ' 77' ' ' LEU . 4.4 tp -55.6 -39.86 71.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -60.31 -45.25 94.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -57.65 -46.66 83.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.659 HD22 ' CG1' ' A' ' 132' ' ' ILE . 10.2 mt -67.71 -20.85 65.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.94 -43.5 92.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 105.1 1.63 41.75 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.596 ' HA ' HG22 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -83.94 6.4 21.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.797 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.5 144.85 41.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -60.76 126.78 28.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 89.26 -9.3 77.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.797 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 30.1 mtp -102.78 -17.75 15.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.596 HG22 ' HA ' ' A' ' 109' ' ' LEU . 2.1 t -85.21 121.89 37.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.06 2.34 68.97 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -138.74 104.24 7.57 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.459 0.74 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.48 ' CB ' ' CD1' ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.0 -69.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.527 1.804 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -53.74 -41.98 67.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.64 -40.99 99.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.469 1.106 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.797 ' HG2' HD21 ' A' ' 124' ' ' LEU . 0.6 OUTLIER -60.45 -45.14 94.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 0.737 . . . . 0.0 110.328 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -60.14 -31.34 69.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.12 -16.0 58.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.544 HD13 ' HG3' ' A' ' 113' ' ' MET . 0.6 OUTLIER -86.07 -17.08 36.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.797 HD21 ' HG2' ' A' ' 120' ' ' GLN . 0.1 OUTLIER -128.85 121.43 28.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.415 ' HD2' ' N ' ' A' ' 125' ' ' ARG . 0.2 OUTLIER -43.35 160.09 0.22 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 109.12 2.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 160.97 -44.6 0.4 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.453 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 7.5 mt-10 -57.07 -32.51 66.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 0.778 . . . . 0.0 110.261 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.709 ' HA ' HD12 ' A' ' 132' ' ' ILE . 0.3 OUTLIER -62.54 -41.69 99.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 56.9 t -59.53 -39.77 80.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.57 90.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.709 HD12 ' HA ' ' A' ' 129' ' ' LEU . 14.2 mt -69.07 -38.61 78.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.53 HG23 ' SD ' ' A' ' 44' ' ' MET . 58.6 m -68.37 -40.3 81.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.394 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.76 -42.51 77.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.5 p -68.97 -34.61 75.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.034 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.7 -43.3 97.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.601 ' CD1' HG12 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -70.02 -33.04 71.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -73.0 -29.51 63.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -78.75 -33.79 46.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.675 ' CE1' HD22 ' A' ' 61' ' ' LEU . 5.7 t80 -74.4 -40.7 61.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -70.73 -24.88 62.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -73.59 -41.57 62.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.479 HG21 ' C ' ' A' ' 68' ' ' LEU . 7.8 t -68.66 -43.35 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -72.9 -21.5 60.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 147' ' ' ALA . 1.6 mtp180 -67.78 -41.97 82.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -41.12 98.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 145' ' ' ARG . . . -174.3 155.77 2.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -117.91 126.82 27.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 139.26 23.97 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.783 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -104.02 151.95 22.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.611 ' HA3' ' HB3' ' A' ' 154' ' ' ALA . . . -87.69 147.28 20.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.534 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo -74.94 -47.52 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 111.059 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' TRP . . . . . 0.572 ' CH2' HD11 ' A' ' 180' ' ' LEU . 30.0 p90 -101.67 -30.65 11.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 108.027 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.611 ' HB3' ' HA3' ' A' ' 151' ' ' GLY . . . -54.08 -32.0 53.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -79.13 -22.14 45.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.108 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.599 HD11 ' HB2' ' A' ' 174' ' ' ALA . 15.5 mt -79.65 120.5 31.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.535 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 63.9 m -129.26 126.35 38.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.659 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 14.7 tm0? -66.51 129.62 40.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.439 ' O ' ' NE2' ' A' ' 158' ' ' GLN . . . -123.23 164.83 16.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -23.62 13.67 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.81 -31.01 61.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.414 ' HG3' ' NH2' ' A' ' 170' ' ' ARG . 46.5 mm-40 -99.77 135.66 40.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.458 ' HB2' ' CB ' ' A' ' 166' ' ' ASP . 2.7 m -57.39 156.12 8.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.722 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.8 OUTLIER -69.09 -51.83 34.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.938 HG23 HG21 ' A' ' 219' ' ' ILE . 1.1 p -66.23 -43.91 91.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.458 ' CB ' ' HB2' ' A' ' 163' ' ' SER . 39.5 t0 -56.3 -45.83 80.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.659 ' CZ ' ' N ' ' A' ' 158' ' ' GLN . 77.9 t80 -67.69 -43.46 80.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.583 ' O ' HD12 ' A' ' 172' ' ' ILE . . . -55.51 -34.2 64.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -66.3 -50.17 64.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 109.304 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.414 ' NH2' ' HG3' ' A' ' 162' ' ' GLU . 10.9 mtm105 -59.79 -38.13 81.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.489 HD12 ' CE2' ' A' ' 167' ' ' PHE . 3.3 tt -69.24 -49.45 56.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 168' ' ' ALA . 16.5 mt -57.68 -40.46 75.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -63.25 -36.93 85.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.599 ' HB2' HD11 ' A' ' 156' ' ' ILE . . . -68.33 -52.95 27.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 0.602 HG13 HD12 ' A' ' 180' ' ' LEU . 42.5 t -57.12 -45.61 84.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.435 ' OE1' HG22 ' A' ' 172' ' ' ILE . 41.5 mt-10 -58.53 -43.0 89.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -88.9 22.3 22.74 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.125 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 49.2 p -118.6 165.87 13.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 109.958 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.46 90.31 5.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.602 HD12 HG13 ' A' ' 175' ' ' VAL . 10.0 mt -119.16 162.77 30.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 172.43 16.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.791 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 136.75 20.82 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.789 . . . . 0.0 111.018 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.04 7.35 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -99.7 -15.48 18.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . 0.591 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 6.6 mtp180 -88.78 79.61 7.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.849 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 170.47 -55.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' PRO . . . . . 0.849 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -75.03 -27.64 9.79 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 29.1 t -70.88 -40.47 76.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.55 HG13 HG21 ' A' ' 175' ' ' VAL . 19.1 mt -67.94 -48.27 75.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' ILE . . . . . 0.756 HD11 ' C ' ' A' ' 214' ' ' THR . 94.3 mt -64.62 -35.47 74.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.73 -43.43 90.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' CYS . . . . . 0.445 ' CB ' HD11 ' A' ' 171' ' ' LEU . 26.0 m -56.91 -49.47 75.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 108.29 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' PHE . . . . . 0.503 ' CZ ' ' CB ' ' A' ' 168' ' ' ALA . 13.3 m-30 -53.15 -40.75 64.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' ARG . . . . . 0.574 ' HB3' HG21 ' A' ' 205' ' ' ILE . 0.1 OUTLIER -96.25 15.67 20.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -94.51 -46.03 7.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.277 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 196' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 197' ' ' SER . 16.3 mtpt -141.17 -92.46 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 197' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 196' ' ' LYS . 0.7 OUTLIER 36.78 -156.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.021 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -80.48 158.79 70.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -38.82 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.464 1.771 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -65.62 -32.38 73.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 201' ' ' ILE . 16.6 mm -73.1 -45.27 54.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 194' ' ' ARG . 6.8 mt-30 -62.13 -38.6 89.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . 0.448 ' O ' ' NE2' ' A' ' 203' ' ' GLN . 31.5 tp60 -63.06 -34.84 78.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.801 HD21 ' CG ' ' A' ' 225' ' ' ARG . 0.3 OUTLIER -70.37 -49.55 48.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.574 HG21 ' HB3' ' A' ' 194' ' ' ARG . 1.0 OUTLIER -62.45 -38.12 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -34.0 77.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -89.48 2.25 54.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.253 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 208' ' ' ALA . . . . . 0.513 ' HA ' ' CE2' ' A' ' 221' ' ' TYR . . . -62.37 158.19 49.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . 0.528 ' HB2' HG22 ' A' ' 211' ' ' THR . 18.3 Cg_endo -75.01 152.82 41.18 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.537 1.809 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.55 24.63 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.04 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . 0.528 HG22 ' HB2' ' A' ' 209' ' ' PRO . 14.9 t -109.33 -1.77 18.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.417 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 212' ' ' LEU . . . . . 0.736 ' O ' HG23 ' A' ' 213' ' ' THR . 0.5 OUTLIER -148.67 145.16 27.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.736 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.7 p -160.95 50.54 0.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.436 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 214' ' ' THR . . . . . 0.756 ' C ' HD11 ' A' ' 190' ' ' ILE . 69.6 p -123.61 158.88 57.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.424 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 54.35 3.62 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -158.98 -54.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.142 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -74.05 -34.74 64.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 218' ' ' ILE . . . . . 0.717 HG12 HD13 ' A' ' 190' ' ' ILE . 0.7 OUTLIER -64.3 -41.54 92.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 219' ' ' ILE . . . . . 0.938 HG21 HG23 ' A' ' 165' ' ' VAL . 5.3 mt -74.67 -50.26 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -33.49 64.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.513 ' CE2' ' HA ' ' A' ' 208' ' ' ALA . 10.4 t80 -71.87 -49.4 38.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.487 HG22 ' HB3' ' A' ' 204' ' ' LEU . 12.8 t -60.29 -43.99 94.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.401 HD23 ' NE2' ' A' ' 226' ' ' GLN . 19.5 mt -63.68 -41.21 98.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.22 -35.48 80.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . 0.801 ' CG ' HD21 ' A' ' 204' ' ' LEU . 1.5 tpm_? -74.97 -38.82 61.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . 0.401 ' NE2' HD23 ' A' ' 223' ' ' LEU . 35.9 mt-30 -52.34 -49.67 63.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.95 108.56 13.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 1.1 pp -94.05 -23.93 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . 59.31 158.29 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.468 1.773 . . . . 0.0 110.962 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.423 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 10.8 t -130.02 142.41 45.28 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 12' ' ' THR . 18.4 Cg_endo -74.99 125.52 9.38 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.793 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.03 HD11 HD11 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -62.0 140.46 58.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.516 ' CB ' HD12 ' A' ' 18' ' ' LEU . 3.4 tp10 -109.28 133.05 20.91 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -44.81 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -36.95 72.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.516 HD12 ' CB ' ' A' ' 15' ' ' GLU . 86.4 mt -70.19 -38.77 75.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.03 HD11 HD11 ' A' ' 14' ' ' LEU . 11.0 mt -69.74 -36.98 72.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.1 m -61.72 -50.06 73.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.406 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -64.45 -37.89 89.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.669 HD13 HD22 ' A' ' 43' ' ' LEU . 1.4 mt -66.39 -43.74 85.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.469 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -65.18 -32.2 73.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.806 ' O ' HG23 ' A' ' 28' ' ' THR . 0.2 OUTLIER -62.05 -46.04 90.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.497 HG22 ' CD ' ' A' ' 39' ' ' GLU . 1.3 m -59.55 -39.35 83.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.451 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.677 HG22 ' HA ' ' A' ' 36' ' ' THR . 2.7 t -59.33 -40.51 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -48.51 68.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.243 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.806 HG23 ' O ' ' A' ' 24' ' ' ASP . 22.0 p -67.48 -30.46 70.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.356 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.575 ' CG ' HG21 ' A' ' 35' ' ' ILE . 17.5 mmtt -84.75 -13.33 51.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.16 126.01 5.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.696 HD13 ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -66.88 -31.22 71.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.76 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.59 2.13 55.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.78 164.63 38.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.977 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 37' ' ' MET . 18.3 Cg_endo -74.95 -45.09 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.575 HG21 ' CG ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -41.44 -29.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.15 . . . . 0.0 109.337 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.677 ' HA ' HG22 ' A' ' 26' ' ' VAL . 19.4 m -60.39 -48.99 79.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.473 ' HE1' ' CD1' ' A' ' 140' ' ' PHE . 0.0 OUTLIER -63.22 -39.72 95.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.939 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.99 84.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.522 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 1.4 mt-10 -63.27 -47.04 84.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.449 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 34.5 t -61.74 -47.55 92.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 45' ' ' SER . 4.3 mt-10 -62.75 -24.55 67.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -65.17 -55.56 17.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.669 HD22 HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -72.26 -42.12 65.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.499 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 29.8 mtt -74.07 -10.12 59.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 44' ' ' MET . 6.1 m -34.41 -35.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.4 OUTLIER -109.12 165.85 11.89 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.058 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 147.08 33.35 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.531 1.806 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.656 ' H ' HD12 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -140.57 -173.73 3.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.623 HD21 ' HB2' ' A' ' 121' ' ' ALA . 0.2 OUTLIER -86.65 165.14 34.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -34.03 4.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.422 1.749 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.437 ' O ' ' OG1' ' A' ' 54' ' ' THR . 1.5 t-160 -67.62 -43.88 79.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.551 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.638 ' OD2' HD22 ' A' ' 14' ' ' LEU . 1.2 t0 -64.23 -32.47 74.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.64 HG23 HD13 ' A' ' 48' ' ' LEU . 2.1 t -59.39 -47.84 89.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.465 ' C ' ' HH ' ' A' ' 66' ' ' TYR . 19.1 p -67.43 -42.55 82.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.378 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -60.96 -42.62 98.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.654 HD21 ' CD1' ' A' ' 43' ' ' LEU . 15.4 tp -69.36 -50.1 49.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.835 ' O ' HD12 ' A' ' 61' ' ' LEU . 19.1 mmt -57.63 -30.91 65.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 35.6 ttt85 -69.53 -37.17 77.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.452 HG12 ' CB ' ' A' ' 23' ' ' ALA . 34.4 t -69.5 -47.34 72.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.469 HG12 ' CB ' ' A' ' 23' ' ' ALA . 97.6 mt -71.58 -43.17 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.835 HD12 ' O ' ' A' ' 57' ' ' MET . 0.2 OUTLIER -114.81 124.45 51.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.487 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -55.67 -173.1 0.13 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.457 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.4 Cg_endo -74.97 -19.46 17.89 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 111.04 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.958 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.46 -59.06 3.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.958 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.6 Cg_endo -74.96 4.76 4.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 58' ' ' ARG . 1.3 t80 -77.67 -48.88 15.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.89 -33.75 72.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.649 HD23 HD22 ' A' ' 146' ' ' LEU . 6.4 mp -69.28 -44.36 72.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.565 ' CZ2' ' HG3' ' A' ' 57' ' ' MET . 25.6 t90 -70.53 -35.46 73.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 107.991 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.0 mmt -64.36 -41.6 96.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -70.7 -42.28 70.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.99 -38.78 83.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.454 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 14.7 t90 -62.94 -41.52 99.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 107.994 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.25 -45.16 94.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.1 t -68.1 -47.09 80.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -56.21 -45.54 79.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.601 ' CD2' HD13 ' A' ' 106' ' ' LEU . 3.2 mt -60.62 -46.61 89.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -63.01 -30.62 71.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -66.84 -37.17 83.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.85 -47.05 89.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.938 HG13 HG23 ' A' ' 101' ' ' THR . 1.5 mp -66.27 -45.38 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.11 -36.77 80.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.505 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . . . -64.71 -49.45 70.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.504 ' HB2' ' CB ' ' A' ' 90' ' ' HIS . . . -63.26 -34.97 78.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.2 m -68.22 -40.56 82.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.7 mtt85 -72.26 -43.41 64.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.33 122.27 13.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.66 3.69 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -120.6 -5.6 9.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.505 ' CD2' ' HB3' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -73.03 130.73 84.53 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.612 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -74.99 -21.43 15.88 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.797 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.445 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -66.66 -10.46 46.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.455 ' O ' ' OD1' ' A' ' 93' ' ' ASN . 30.4 p-10 -88.76 155.38 19.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.98 -141.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -175.89 42.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -123.85 -123.65 2.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.442 ' NE ' ' O ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -90.65 -1.26 57.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.771 . . . . 0.0 110.275 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -125.65 -47.07 0.22 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 39.49 42.44 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 0.782 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -129.19 126.04 38.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.938 HG23 HG13 ' A' ' 81' ' ' ILE . 4.3 t -75.14 169.52 17.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.389 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -150.48 144.54 25.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.598 HD12 HD13 ' A' ' 81' ' ' ILE . 1.9 tp -59.98 -40.82 90.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.87 -45.17 95.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -41.2 97.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.601 HD13 ' CD2' ' A' ' 77' ' ' LEU . 7.2 mt -72.24 -19.48 61.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.34 -51.33 11.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.577 ' HA2' ' HE2' ' A' ' 113' ' ' MET . . . 110.69 27.56 4.31 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.595 ' HA ' HG22 ' A' ' 114' ' ' VAL . 2.7 tp -107.04 5.69 28.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.951 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -64.73 151.34 45.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.23 128.34 36.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.55 -16.64 60.84 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.56 1.163 . . . . 0.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.951 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 32.9 mtp -102.54 -23.74 13.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.595 HG22 ' HA ' ' A' ' 109' ' ' LEU . 2.6 t -72.1 122.23 24.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.79 2.51 75.32 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.438 1.086 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.464 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 18.5 m-20 -138.51 104.07 7.76 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -68.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -49.14 69.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.91 -35.76 84.54 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 0.0 OUTLIER -65.64 -44.15 87.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.623 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -65.51 -32.15 73.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.23 -15.97 59.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.456 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 0.2 OUTLIER -86.54 -28.23 23.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.626 HD21 ' CE ' ' A' ' 113' ' ' MET . 1.1 mt -92.36 120.92 33.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.98 156.98 0.42 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 108.9 2.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.439 1.757 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 152.02 -43.31 0.67 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.445 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 24.8 mt-10 -56.76 -34.35 67.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 110.332 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.7 mt -58.76 -44.11 90.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 8.7 t -59.64 -39.83 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -56.53 -37.25 70.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.464 ' CG1' HD22 ' A' ' 106' ' ' LEU . 45.0 mt -69.22 -42.0 81.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.432 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 4.1 m -62.75 -48.55 78.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.419 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.47 88.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -36.61 79.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.989 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.05 -43.28 92.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.499 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.3 OUTLIER -69.7 -33.73 72.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -69.15 -41.52 77.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.66 -33.16 73.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.473 ' CD1' ' HE1' ' A' ' 37' ' ' MET . 5.8 t80 -61.26 -65.42 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -52.96 -25.1 10.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.59 -34.09 75.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.604 HG22 ' HB3' ' A' ' 68' ' ' LEU . 4.1 t -77.99 -33.04 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -72.84 -45.99 55.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -32.82 66.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.649 HD22 HD23 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -40.44 -65.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 146' ' ' LEU . . . 179.06 160.25 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.65 156.39 46.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 59.15 5.1 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -103.96 151.99 22.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.421 ' H ' ' HB3' ' A' ' 154' ' ' ALA . . . -134.04 -179.19 16.18 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.57 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.5 Cg_endo -75.02 -46.57 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' TRP . . . . . 0.691 ' CH2' HD11 ' A' ' 180' ' ' LEU . 38.3 p90 -92.83 -20.79 20.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 108.012 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.421 ' HB3' ' H ' ' A' ' 151' ' ' GLY . . . -61.27 -32.61 72.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 109.247 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.66 -14.43 58.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.787 HG22 ' CE1' ' A' ' 167' ' ' PHE . 4.0 mt -92.84 120.72 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.604 ' C ' ' CZ ' ' A' ' 167' ' ' PHE . 2.7 m -129.44 137.63 50.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.363 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.513 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 1.1 tm0? -77.73 127.14 31.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -122.38 160.35 16.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.428 ' HB3' ' OE1' ' A' ' 198' ' ' GLN . 18.1 Cg_endo -75.05 -19.84 17.34 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 56.5 p -79.48 -16.66 55.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.06 136.67 52.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.432 ' CB ' ' HB2' ' A' ' 166' ' ' ASP . 0.3 OUTLIER -56.22 133.1 52.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.021 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.521 ' CE2' HG23 ' A' ' 219' ' ' ILE . 1.5 t80 -56.54 -52.59 64.19 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.867 HG23 HG21 ' A' ' 219' ' ' ILE . 0.5 OUTLIER -62.66 -37.53 79.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.432 ' HB2' ' CB ' ' A' ' 163' ' ' SER . 35.5 m-20 -62.92 -48.18 80.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.957 ' CE2' HD12 ' A' ' 171' ' ' LEU . 87.6 t80 -67.15 -37.71 84.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -57.83 -36.87 72.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -67.06 -47.28 71.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 32.3 mtp85 -61.74 -37.6 84.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.957 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.5 OUTLIER -70.22 -50.4 40.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.51 HG12 HD13 ' A' ' 189' ' ' ILE . 37.6 mt -57.93 -38.67 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.86 -36.61 83.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.474 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -68.84 -51.03 44.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 0.71 HG21 HG13 ' A' ' 189' ' ' ILE . 52.6 t -59.22 -48.03 88.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.98 -35.17 61.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -102.02 26.41 24.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 25.8 p -116.39 166.07 12.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.765 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -88.72 80.52 7.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.691 HD11 ' CH2' ' A' ' 153' ' ' TRP . 17.5 mt -123.6 154.08 66.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.625 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.2 Cg_endo -75.03 162.24 37.37 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 64.94 6.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.445 1.761 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 4.2 t -179.18 -37.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.625 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -80.97 -11.61 59.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 81.0 mtm180 -84.29 70.3 10.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.929 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 174.59 -57.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' PRO . . . . . 0.929 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.1 Cg_endo -74.97 -26.9 10.54 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.506 1.793 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 20.7 t -66.39 -38.44 81.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.71 HG13 HG21 ' A' ' 175' ' ' VAL . 16.2 mt -68.21 -48.06 75.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' ILE . . . . . 0.706 HD11 ' C ' ' A' ' 214' ' ' THR . 53.3 mt -66.35 -35.86 75.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.93 -36.27 78.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' CYS . . . . . 0.406 ' HA ' ' HB2' ' A' ' 195' ' ' GLN . 34.9 m -62.83 -48.37 79.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 108.281 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' PHE . . . . . . . . . . . . . 9.0 m-30 -53.7 -50.72 65.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' ARG . . . . . 0.616 ' HB3' HG21 ' A' ' 205' ' ' ILE . 8.5 ptm180 -76.86 1.04 18.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . 0.406 ' HB2' ' HA ' ' A' ' 192' ' ' CYS . 1.1 tp60 -81.75 -40.92 21.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.254 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.55 78.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 197' ' ' SER . . . . . 0.606 ' O ' ' O ' ' A' ' 198' ' ' GLN . 25.4 p -145.15 92.16 2.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 110.043 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 198' ' ' GLN . . . . . 0.606 ' O ' ' O ' ' A' ' 197' ' ' SER . 0.5 OUTLIER 51.25 156.0 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -44.31 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.473 1.775 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -45.64 76.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.523 ' O ' HD12 ' A' ' 205' ' ' ILE . 12.7 mm -59.71 -29.84 43.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -49.19 32.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . 0.492 ' O ' ' CB ' ' A' ' 207' ' ' ALA . 1.1 mt-30 -66.37 -27.66 68.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.711 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.4 OUTLIER -68.42 -49.26 61.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.616 HG21 ' HB3' ' A' ' 194' ' ' ARG . 1.2 mt -68.8 -48.78 69.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 206' ' ' ARG . . . . . 0.485 ' CD ' ' HA ' ' A' ' 203' ' ' GLN . 2.2 ptm180 -59.47 -33.44 71.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 207' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 203' ' ' GLN . . . -89.42 3.75 51.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 208' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -64.51 158.26 67.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . 0.652 ' HB2' HG22 ' A' ' 211' ' ' THR . 18.4 Cg_endo -75.0 153.71 41.98 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.512 1.796 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.19 14.15 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . 0.652 HG22 ' HB2' ' A' ' 209' ' ' PRO . 12.4 t -96.27 -5.9 39.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 212' ' ' LEU . . . . . 0.736 ' O ' HG23 ' A' ' 213' ' ' THR . 0.4 OUTLIER -148.54 145.4 27.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.736 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.7 p -161.12 46.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 214' ' ' THR . . . . . 0.706 ' C ' HD11 ' A' ' 190' ' ' ILE . 56.0 p -120.45 158.3 51.61 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.46 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 54.65 3.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -160.87 -50.12 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -74.37 -36.73 63.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.757 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 218' ' ' ILE . . . . . 0.618 HG12 HD13 ' A' ' 190' ' ' ILE . 1.1 mp -63.7 -51.47 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 219' ' ' ILE . . . . . 0.867 HG21 HG23 ' A' ' 165' ' ' VAL . 3.5 mt -63.7 -45.87 96.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.69 -34.94 73.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.443 ' CE2' ' HA ' ' A' ' 208' ' ' ALA . 0.3 OUTLIER -74.02 -48.5 29.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.613 HG13 HD13 ' A' ' 204' ' ' LEU . 5.4 t -59.99 -45.56 95.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.514 HD11 ' CG2' ' A' ' 165' ' ' VAL . 33.1 mt -62.99 -35.77 81.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -67.97 -35.55 78.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . 0.711 ' HB3' HD11 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -74.62 -44.67 49.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.275 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -54.18 -36.61 63.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.8 137.6 36.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 7.4 tt -107.82 160.26 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . -141.05 160.67 57.16 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.518 1.799 . . . . 0.0 110.965 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.3 m -132.64 105.54 13.0 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 145.28 31.34 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.543 1.812 . . . . 0.0 111.026 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.474 ' CD2' HD11 ' A' ' 19' ' ' ILE . 7.5 tt -75.3 109.02 8.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.537 ' CG ' HD12 ' A' ' 18' ' ' LEU . 1.7 pt-20 -134.32 161.75 61.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -37.83 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -58.43 -49.74 76.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.537 HD12 ' CG ' ' A' ' 15' ' ' GLU . 97.0 mt -69.92 -45.48 67.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.93 ' CD1' HD12 ' A' ' 56' ' ' LEU . 39.4 mt -58.18 -36.64 58.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.2 m -66.79 -41.7 87.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 110.333 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 mtp85 -67.5 -48.95 65.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -44.57 89.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.422 ' HB2' HG12 ' A' ' 60' ' ' ILE . . . -61.76 -31.6 71.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.897 ' O ' HG23 ' A' ' 28' ' ' THR . 4.9 t70 -61.52 -42.78 99.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.409 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -63.04 -37.59 87.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.378 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.812 HG22 ' HA ' ' A' ' 36' ' ' THR . 1.7 t -56.49 -49.35 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -48.41 81.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.897 HG23 ' O ' ' A' ' 24' ' ' ASP . 50.3 p -60.47 -34.76 74.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.383 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.556 ' CG ' HG21 ' A' ' 35' ' ' ILE . 16.5 mmtt -82.39 -14.5 55.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.1 130.02 6.9 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.415 HD13 HG21 ' A' ' 36' ' ' THR . 0.2 OUTLIER -67.24 -29.47 69.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.411 ' CG ' ' O ' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -90.59 2.52 55.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.62 164.09 41.49 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.004 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' MET . 18.2 Cg_endo -75.03 -45.97 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.556 HG21 ' CG ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -41.04 -29.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.812 ' HA ' HG22 ' A' ' 26' ' ' VAL . 39.4 m -61.41 -49.45 76.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.374 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -64.26 -42.01 96.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.46 -51.7 66.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -59.86 -47.22 86.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.475 HG21 ' CE2' ' A' ' 140' ' ' PHE . 6.4 t -59.63 -39.66 80.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 45' ' ' SER . 0.6 OUTLIER -71.25 -24.62 62.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -61.7 -54.46 42.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.998 HD13 HD11 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -71.21 -48.02 53.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.49 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 18.2 mtt -67.96 -10.7 55.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' GLU . 78.7 p -37.65 -31.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.014 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.5 OUTLIER -110.74 165.02 13.48 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.0 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 149.94 37.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.532 1.806 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.835 HD13 HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -150.85 173.96 13.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.9 OUTLIER -78.87 165.09 51.66 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -30.4 7.25 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.451 ' O ' ' OG1' ' A' ' 54' ' ' THR . 27.9 t60 -65.93 -47.89 73.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.576 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -64.81 -31.16 72.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.835 HG23 HD13 ' A' ' 48' ' ' LEU . 3.5 t -59.51 -47.66 90.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.531 HG22 ' CE ' ' A' ' 70' ' ' MET . 4.6 p -66.4 -41.49 89.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.401 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.537 ' O ' HG23 ' A' ' 59' ' ' VAL . 2.9 t30 -68.02 -35.08 77.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.998 HD11 HD13 ' A' ' 43' ' ' LEU . 1.1 tt -70.37 -53.55 16.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.639 ' HG3' HD21 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -61.17 -41.53 96.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 111.004 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 61' ' ' LEU . 1.9 ttt180 -55.57 -36.93 67.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.579 HG11 HG22 ' A' ' 19' ' ' ILE . 39.9 t -69.41 -34.23 61.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.622 ' HB ' HD23 ' A' ' 61' ' ' LEU . 7.2 mt -77.57 -43.89 29.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.641 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -119.79 126.94 52.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.469 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -53.28 -170.1 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.4 ' O ' ' HB3' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.04 -19.07 18.12 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.517 1.799 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.946 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -70.17 -59.68 4.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.097 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.946 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.99 1.81 7.32 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.509 1.794 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.57 ' CE1' ' SD ' ' A' ' 70' ' ' MET . 39.0 t80 -71.72 -47.65 52.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.78 75.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.727 ' HB3' HG22 ' A' ' 143' ' ' VAL . 6.2 mp -65.68 -45.03 84.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.551 ' CZ2' ' SD ' ' A' ' 57' ' ' MET . 71.0 t90 -69.33 -36.79 77.3 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.57 ' SD ' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -64.44 -44.75 90.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -65.54 -42.46 91.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' A' ' 139' ' ' ALA . . . -69.57 -36.64 76.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.519 ' CZ3' ' CG2' ' A' ' 54' ' ' THR . 14.7 t90 -66.65 -37.33 84.58 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.406 ' O ' ' NE2' ' A' ' 78' ' ' GLN . . . -60.97 -42.4 99.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.03 -47.17 79.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.786 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.455 ' OE1' ' CB ' ' A' ' 138' ' ' GLN . 45.0 mm-40 -57.94 -43.8 86.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.745 ' CD2' HD13 ' A' ' 106' ' ' LEU . 1.3 mt -64.2 -45.43 88.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.409 ' HA ' HD13 ' A' ' 103' ' ' LEU . 39.0 mt-30 -61.22 -31.71 71.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 76' ' ' GLN . 1.3 m -63.64 -38.47 91.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.386 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.75 -34.82 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.497 ' CG1' HD12 ' A' ' 103' ' ' LEU . 29.5 mm -71.81 -50.12 40.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.91 -47.08 86.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.56 -48.38 77.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.412 ' HB3' HG21 ' A' ' 101' ' ' THR . . . -61.45 -47.85 83.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 m -58.88 -31.2 68.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -74.96 -43.12 55.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -121.26 114.6 31.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 54.38 3.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -142.53 14.66 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.447 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -85.08 140.31 36.97 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.626 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -21.39 15.85 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.473 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -63.47 -22.19 66.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.481 ' CA ' ' HB ' ' A' ' 101' ' ' THR . 15.5 p30 -98.6 154.12 18.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.25 -121.17 0.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -75.34 -61.62 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.44 -1.07 12.66 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.7 mtt-85 -95.55 -0.71 51.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 110.324 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 160.69 43.59 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.17 -72.6 0.34 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 0.792 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.57 151.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.481 ' HB ' ' CA ' ' A' ' 93' ' ' ASN . 9.0 t -74.33 147.89 41.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.54 147.62 52.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.509 HD11 ' HB3' ' A' ' 77' ' ' LEU . 5.5 tp -64.41 -45.77 86.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.469 ' HA ' ' CG ' ' A' ' 107' ' ' LYS . 56.6 t0 -57.58 -37.85 73.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.19 -35.18 59.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.745 HD13 ' CD2' ' A' ' 77' ' ' LEU . 46.9 mt -86.05 -29.97 23.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.469 ' CG ' ' HA ' ' A' ' 104' ' ' ASP . 11.9 mmtt -47.18 -44.42 22.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 103.71 4.86 45.61 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.72 4.74 53.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.787 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.444 ' HB3' ' CE ' ' A' ' 113' ' ' MET . . . -58.81 132.11 52.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.86 135.13 7.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.09 -18.86 37.9 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.529 ' SD ' HD21 ' A' ' 124' ' ' LEU . 5.1 mtt -102.4 -2.4 28.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 0.798 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 1.7 t -93.57 122.18 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 78.43 2.13 83.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -123.19 107.1 32.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.321 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -77.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -53.95 -35.38 61.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -66.85 -39.41 93.43 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.532 ' CG ' HD11 ' A' ' 124' ' ' LEU . 29.8 tt0 -64.64 -43.77 92.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.754 . . . . 0.0 110.324 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.78 -33.83 76.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.21 -24.96 51.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.523 HD13 ' CG ' ' A' ' 113' ' ' MET . 0.2 OUTLIER -79.03 -31.49 44.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.532 HD11 ' CG ' ' A' ' 120' ' ' GLN . 1.5 mt -86.78 177.71 7.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.444 ' NH1' ' HB2' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -109.1 156.84 38.51 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.304 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 108.84 2.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.559 1.821 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.99 -36.6 1.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.473 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 6.7 mt-10 -67.07 -31.88 72.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.536 ' HA ' HD12 ' A' ' 132' ' ' ILE . 3.5 mt -60.09 -49.04 79.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.54 -39.45 81.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.22 -44.44 88.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 129' ' ' LEU . 5.9 mt -68.63 -38.83 79.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.488 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 62.5 m -63.51 -43.88 95.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.96 -47.93 67.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.4 m -58.77 -33.86 70.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.958 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.42 -43.12 91.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.49 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -65.4 -36.77 84.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.455 ' CB ' ' OE1' ' A' ' 76' ' ' GLN . 6.1 mm-40 -64.3 -43.62 94.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.41 ' HA ' ' HB1' ' A' ' 72' ' ' ALA . . . -67.62 -32.28 72.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.475 ' CE2' HG21 ' A' ' 40' ' ' VAL . 2.4 t80 -61.97 -49.06 77.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.943 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -31.38 71.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -61.8 -41.86 98.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.727 HG22 ' HB3' ' A' ' 68' ' ' LEU . 77.8 t -77.87 -43.21 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.411 ' O ' ' CG ' ' A' ' 32' ' ' ARG . . . -55.19 -49.99 70.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -60.04 -42.27 94.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.19 107.94 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -157.51 87.83 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -116.42 147.51 39.77 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.02 3.46 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.495 1.787 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -99.93 151.34 21.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 48.8 82.94 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 155' ' ' ASP . 18.4 Cg_endo -74.94 -46.98 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.471 1.774 . . . . 0.0 111.033 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' TRP . . . . . 0.82 ' HA ' HD12 ' A' ' 156' ' ' ILE . 18.5 p90 -51.75 -30.97 24.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 108.02 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.19 -31.88 73.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 152' ' ' PRO . 32.1 t70 -79.25 -22.07 45.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.82 HD12 ' HA ' ' A' ' 153' ' ' TRP . 9.5 mt -83.55 120.68 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.57 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 64.8 p -131.25 144.7 51.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.561 ' HG2' ' CD2' ' A' ' 167' ' ' PHE . 0.0 OUTLIER -79.46 122.55 26.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 110.313 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.454 ' N ' ' OE1' ' A' ' 158' ' ' GLN . . . -111.46 163.36 12.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.42 15.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.88 -30.25 35.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.011 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -102.78 135.59 44.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.4 t -57.25 132.85 54.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.086 . . . . 0.0 110.01 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.572 ' CE2' HG23 ' A' ' 219' ' ' ILE . 1.7 t80 -56.79 -52.46 64.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.866 HG23 HG21 ' A' ' 219' ' ' ILE . 0.3 OUTLIER -59.73 -48.2 88.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.484 ' N ' ' CG1' ' A' ' 165' ' ' VAL . 2.0 t0 -56.56 -44.65 81.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.762 ' CZ ' HD12 ' A' ' 171' ' ' LEU . 1.1 t80 -65.86 -38.99 90.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -56.82 -33.74 67.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -69.29 -49.56 54.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.419 ' NH2' ' HD2' ' A' ' 173' ' ' LYS . 3.3 mmp_? -60.59 -37.09 80.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.276 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.762 HD12 ' CZ ' ' A' ' 167' ' ' PHE . 5.2 tt -72.36 -49.08 36.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.554 HG12 HD13 ' A' ' 189' ' ' ILE . 55.1 mt -56.48 -46.7 82.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' LYS . . . . . 0.419 ' HD2' ' NH2' ' A' ' 170' ' ' ARG . 0.2 OUTLIER -60.18 -39.93 88.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.603 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -63.24 -44.92 93.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 0.694 HG11 ' HB3' ' A' ' 185' ' ' ARG . 22.6 t -65.47 -38.49 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -36.78 58.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -106.16 24.51 26.17 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 4.2 p -108.74 166.45 10.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 0.76 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -78.88 66.48 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.646 HD11 HG11 ' A' ' 188' ' ' VAL . 7.7 mt -131.33 140.97 40.13 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.2 Cg_endo -75.03 157.58 42.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . 0.517 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.3 Cg_endo -74.96 82.02 2.08 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.6 OUTLIER 157.89 -31.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.71 ' O ' HG23 ' A' ' 188' ' ' VAL . . . -84.81 -18.92 33.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . 0.694 ' HB3' HG11 ' A' ' 175' ' ' VAL . 58.6 mtm180 -75.29 -21.56 58.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.959 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . -64.01 -58.4 14.69 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' PRO . . . . . 0.959 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.1 Cg_endo -75.04 -37.55 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.78 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 184' ' ' ALA . 21.9 t -57.16 -39.86 69.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.679 HD12 ' O ' ' A' ' 185' ' ' ARG . 50.3 mt -68.04 -48.33 74.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' ILE . . . . . 0.553 HD11 ' C ' ' A' ' 214' ' ' THR . 65.2 mt -63.0 -42.29 96.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 195' ' ' GLN . 0.6 OUTLIER -59.12 -40.46 85.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' CYS . . . . . 0.553 ' HB3' HD11 ' A' ' 171' ' ' LEU . 83.0 m -53.61 -45.94 70.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 108.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' PHE . . . . . 0.47 ' CD1' ' N ' ' A' ' 193' ' ' PHE . 6.4 m-30 -62.1 -30.64 71.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' ARG . . . . . 0.604 ' HB3' HG21 ' A' ' 205' ' ' ILE . 0.1 OUTLIER -113.35 29.97 7.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 191' ' ' ASP . 4.0 mt-30 -119.76 -40.21 2.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.337 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 196' ' ' LYS . . . . . 0.528 ' HG3' HG22 ' A' ' 157' ' ' THR . 0.1 OUTLIER -149.34 63.07 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 197' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 198' ' ' GLN . 2.0 m -146.11 157.87 43.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.967 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 198' ' ' GLN . . . . . 0.426 ' O ' ' O ' ' A' ' 197' ' ' SER . 0.1 OUTLIER -39.29 160.28 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 199' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 198' ' ' GLN . 18.2 Cg_endo -75.02 -32.05 5.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -57.93 -43.78 86.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 41.7 mm -74.9 -45.46 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -60.19 -38.66 83.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -65.57 -34.46 78.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.669 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.3 OUTLIER -70.31 -48.94 54.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.604 HG21 ' HB3' ' A' ' 194' ' ' ARG . 0.5 OUTLIER -63.81 -40.02 87.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -64.17 -34.35 77.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -89.49 3.98 50.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 208' ' ' ALA . . . . . 0.523 ' HA ' ' CE2' ' A' ' 221' ' ' TYR . . . -61.33 154.17 64.6 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . 0.493 ' HD2' HD11 ' A' ' 212' ' ' LEU . 18.4 Cg_endo -74.96 154.67 42.86 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.485 1.781 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.26 11.11 15.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 17.7 m -94.26 -14.6 25.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 212' ' ' LEU . . . . . 0.7 ' O ' HG23 ' A' ' 213' ' ' THR . 0.2 OUTLIER -135.86 142.45 44.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.6 p -160.19 46.76 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.386 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 214' ' ' THR . . . . . 0.553 ' C ' HD11 ' A' ' 190' ' ' ILE . 38.1 p -126.54 159.23 64.45 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.397 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.83 3.77 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.549 1.815 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -156.41 -57.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -74.5 -30.4 61.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.244 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 218' ' ' ILE . . . . . 0.511 HG12 HD13 ' A' ' 190' ' ' ILE . 0.7 OUTLIER -63.14 -45.57 98.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 219' ' ' ILE . . . . . 0.866 HG21 HG23 ' A' ' 165' ' ' VAL . 3.4 mt -73.03 -45.68 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -57.23 -36.32 70.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.523 ' CE2' ' HA ' ' A' ' 208' ' ' ALA . 0.8 OUTLIER -71.55 -45.72 61.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.48 HG13 HD13 ' A' ' 204' ' ' LEU . 12.6 t -60.61 -48.7 87.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.593 HD11 ' CG2' ' A' ' 165' ' ' VAL . 83.9 mt -61.93 -37.87 86.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -66.98 -31.91 72.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . 0.669 ' HB3' HD11 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -77.57 -40.94 40.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -51.89 -46.83 64.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.38 112.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.37 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 228' ' ' ILE . . . . . 0.638 ' O ' ' HB2' ' A' ' 229' ' ' ALA . 4.7 mp -118.2 153.53 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 229' ' ' ALA . . . . . 0.85 ' HB3' ' HD3' ' A' ' 230' ' ' PRO . . . 166.54 -54.55 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 230' ' ' PRO . . . . . 0.85 ' HD3' ' HB3' ' A' ' 229' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.8 m -132.22 105.23 13.55 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.387 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 142.01 27.35 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.797 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.852 ' HG ' HD11 ' A' ' 19' ' ' ILE . 3.3 tt -90.86 99.38 12.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.496 ' HB2' HD12 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -88.63 128.77 51.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.28 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 15' ' ' GLU . 18.2 Cg_endo -75.06 -34.43 3.78 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.781 . . . . 0.0 110.97 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.06 -43.79 77.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.496 HD12 ' HB2' ' A' ' 15' ' ' GLU . 39.5 mt -68.69 -41.45 79.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.852 HD11 ' HG ' ' A' ' 14' ' ' LEU . 23.1 mt -59.86 -37.49 72.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.2 m -66.54 -39.03 88.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 0.0 110.372 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -64.64 -48.46 74.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 110.372 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.45 HD22 ' HG3' ' A' ' 39' ' ' GLU . 3.0 mt -66.46 -41.78 88.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.422 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -59.92 -36.66 77.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.89 -42.2 99.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.501 HG23 ' HG3' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -59.33 -37.46 77.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.414 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.967 HG13 ' OG1' ' A' ' 36' ' ' THR . 13.7 t -61.79 -43.81 97.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -48.3 80.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.7 p -71.11 -30.74 66.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.376 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.788 ' CB ' HG21 ' A' ' 35' ' ' ILE . 17.8 mmtt -82.57 -14.62 54.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 95.83 122.29 3.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.795 HD12 HG12 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -67.7 -27.95 67.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.5 ttt-85 -94.22 1.92 55.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 m -88.76 156.7 49.82 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.953 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 49.41 2.25 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.468 1.773 . . . . 0.0 111.019 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.788 HG21 ' CB ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -131.36 -34.88 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.967 ' OG1' HG13 ' A' ' 26' ' ' VAL . 22.7 m -57.37 -42.6 82.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.396 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.474 ' CE ' ' HG3' ' A' ' 141' ' ' ARG . 0.3 OUTLIER -65.0 -41.19 95.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.65 -53.1 30.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.573 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -59.74 -47.29 86.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 36' ' ' THR . 44.8 t -60.15 -48.52 87.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 45' ' ' SER . 8.0 mt-10 -62.37 -24.41 67.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.346 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -64.45 -55.68 19.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.939 HD11 HD21 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -72.8 -41.3 65.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.519 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 30.8 mtt -73.64 -10.98 60.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 41' ' ' GLU . 8.5 t -38.24 -30.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.985 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -110.95 166.55 10.55 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.955 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 147.12 33.36 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.5 1.789 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.539 HD13 HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -146.99 165.11 30.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.855 HD21 ' HB2' ' A' ' 121' ' ' ALA . 2.5 mm? -67.92 163.13 53.0 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.445 ' O ' HG23 ' A' ' 54' ' ' THR . 18.3 Cg_endo -75.03 -34.08 4.06 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.496 1.787 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -67.99 -40.58 83.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.571 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.509 ' OD2' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -63.9 -33.1 74.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 49' ' ' LEU . 54.7 t -58.29 -45.56 89.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 50' ' ' PRO . 30.7 p -66.57 -44.99 80.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.372 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.474 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -63.85 -35.33 80.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.939 HD21 HD11 ' A' ' 43' ' ' LEU . 3.1 tp -71.57 -52.29 18.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.544 ' HG2' ' CD1' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -58.25 -44.63 88.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' A' ' 61' ' ' LEU . 21.8 ttt180 -57.0 -36.45 70.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 55' ' ' ASN . 21.9 t -70.66 -35.09 59.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.534 ' HB ' HD23 ' A' ' 61' ' ' LEU . 5.1 mt -77.16 -43.58 31.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.592 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -123.54 133.59 53.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.46 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -50.1 -176.69 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.416 ' O ' ' HB3' ' A' ' 66' ' ' TYR . 18.4 Cg_endo -75.0 -18.13 18.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.953 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.42 -59.76 3.01 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.953 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.0 0.5 8.83 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.444 1.76 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.422 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 27.2 t80 -75.16 -44.86 44.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.46 -29.84 68.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.734 ' HB3' HG22 ' A' ' 143' ' ' VAL . 6.9 mp -68.56 -44.38 74.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.544 ' CD1' ' HG2' ' A' ' 57' ' ' MET . 16.1 t90 -70.57 -39.84 73.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.044 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.407 ' HE1' HG22 ' A' ' 54' ' ' THR . 2.0 mmt -60.7 -41.23 94.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -70.65 -44.8 66.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.72 -30.34 69.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.512 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 19.6 t90 -66.77 -37.28 84.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 108.018 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.34 -41.8 98.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.4 t -68.08 -46.86 80.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.453 ' CG ' ' HB3' ' A' ' 138' ' ' GLN . 1.7 mp0 -59.21 -46.54 88.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.793 ' CD2' HD13 ' A' ' 106' ' ' LEU . 2.8 mt -58.54 -44.05 89.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.405 ' N ' HD11 ' A' ' 103' ' ' LEU . 27.9 mt-30 -58.21 -37.07 74.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 76' ' ' GLN . 0.8 OUTLIER -60.48 -35.53 76.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.415 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.1 t -71.16 -37.94 68.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.694 HD11 HD12 ' A' ' 106' ' ' LEU . 6.3 mm -63.84 -49.39 82.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.45 -43.24 81.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.84 -46.47 81.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.57 -35.02 79.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.8 m -66.56 -41.83 88.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.7 mtt85 -69.02 -41.09 78.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -116.08 106.66 49.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 54.28 3.6 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.464 1.771 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -148.04 18.24 1.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 0.2 OUTLIER -83.42 137.11 42.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.588 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.4 Cg_endo -74.96 -22.96 14.35 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.79 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.84 -15.79 45.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.454 ' CA ' ' HB ' ' A' ' 101' ' ' THR . 15.0 p30 -111.4 154.15 25.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -38.95 -79.58 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -169.14 63.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 0.782 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.07 -144.78 15.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -87.06 -0.44 56.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 0.737 . . . . 0.0 110.27 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.45 -34.94 80.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -125.27 -51.59 1.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 0.744 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 66.31 139.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.454 ' HB ' ' CA ' ' A' ' 93' ' ' ASN . 3.5 t -75.38 166.33 23.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -146.31 142.76 28.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.469 ' CD1' HG12 ' A' ' 81' ' ' ILE . 3.6 tp -56.86 -40.86 76.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -63.22 -42.93 99.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -55.07 -45.81 75.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.793 HD13 ' CD2' ' A' ' 77' ' ' LEU . 55.6 mt -70.28 -16.09 62.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.88 -14.64 41.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.37 33.68 8.52 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.516 ' HA ' HG22 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -97.87 6.62 47.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.657 ' HB3' ' HB2' ' A' ' 113' ' ' MET . . . -58.48 138.17 56.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -56.93 123.26 14.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.07 -14.06 54.79 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.657 ' HB2' ' HB3' ' A' ' 110' ' ' ALA . 15.3 mtt -92.76 -21.5 19.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.79 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.516 HG22 ' HA ' ' A' ' 109' ' ' LEU . 1.7 t -78.22 126.08 38.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.05 -6.67 76.33 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.464 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 4.0 t30 -134.75 107.94 10.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.762 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -61.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 111.016 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -54.4 -50.23 68.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -61.79 -37.39 94.23 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.48 1.112 . . . . 0.0 111.034 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 20.8 tt0 -63.9 -44.48 92.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 0.73 . . . . 0.0 110.241 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.855 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -66.53 -31.57 72.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.33 -21.79 55.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.581 HD13 ' HG3' ' A' ' 113' ' ' MET . 0.6 OUTLIER -80.83 -27.57 36.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.535 HD11 HD21 ' A' ' 129' ' ' LEU . 2.0 pp -113.29 118.84 35.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.79 165.14 0.23 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 108.9 2.82 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.555 1.819 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.76 -51.29 0.28 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.475 ' HG3' ' CD2' ' A' ' 106' ' ' LEU . 1.1 tt0 -57.1 -33.18 67.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 0.742 . . . . 0.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.535 HD21 HD11 ' A' ' 124' ' ' LEU . 0.5 OUTLIER -64.99 -38.51 91.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.07 -39.87 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.57 94.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.485 ' CG1' HD22 ' A' ' 106' ' ' LEU . 31.6 mt -69.14 -38.56 78.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.358 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.472 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 87.6 m -65.84 -49.02 69.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.74 91.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 85.4 p -61.78 -33.93 74.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.52 -37.3 86.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.519 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -67.32 -40.07 85.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.453 ' HB3' ' CG ' ' A' ' 76' ' ' GLN . 0.3 OUTLIER -63.64 -40.05 95.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 110.285 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.56 -32.95 74.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.885 ' CE1' HG21 ' A' ' 36' ' ' THR . 1.5 t80 -64.87 -57.07 9.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.474 ' HG3' ' CE ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -53.79 -27.59 30.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -68.17 -39.05 82.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.734 HG22 ' HB3' ' A' ' 68' ' ' LEU . 41.0 t -80.65 -41.52 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.9 -47.76 73.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.252 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -66.97 -42.74 84.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.32 113.98 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -74.37 150.54 40.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -74.17 153.96 88.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 136.45 20.34 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.71 107.31 3.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 141.86 79.18 0.05 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.483 1.114 . . . . 0.0 110.958 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.405 ' O ' ' N ' ' A' ' 155' ' ' ASP . 18.3 Cg_endo -75.02 -37.72 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.524 1.802 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' TRP . . . . . 0.844 ' HA ' HD12 ' A' ' 156' ' ' ILE . 1.1 p90 -51.18 -33.04 25.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 108.021 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.71 -33.49 75.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 152' ' ' PRO . 89.3 m-20 -80.94 -20.78 41.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.844 HD12 ' HA ' ' A' ' 153' ' ' TRP . 31.1 mt -82.03 121.15 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.91 HG22 ' HD2' ' A' ' 196' ' ' LYS . 24.1 p -124.24 136.79 54.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.583 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 16.9 tp60 -75.24 112.93 12.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -114.17 162.6 12.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -26.19 11.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 80.7 p -71.69 -31.6 66.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.028 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -98.57 136.2 39.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.72 147.12 23.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -66.34 -52.09 50.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.869 HG22 ' CG2' ' A' ' 219' ' ' ILE . 1.4 t -65.74 -46.95 87.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -55.69 -47.56 76.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.73 ' CE1' HG22 ' A' ' 156' ' ' ILE . 64.9 t80 -69.26 -26.54 64.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -66.25 -50.07 65.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -57.38 -41.96 81.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -61.17 -37.13 81.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.685 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.2 OUTLIER -72.45 -48.84 37.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.431 HG12 HD13 ' A' ' 189' ' ' ILE . 16.2 mt -57.62 -38.58 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -66.28 -37.67 85.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.438 ' HB2' HD11 ' A' ' 156' ' ' ILE . . . -67.16 -52.9 35.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 0.533 HG13 HD12 ' A' ' 180' ' ' LEU . 54.5 t -58.73 -46.07 90.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -52.53 -33.21 44.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -108.83 26.37 15.98 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.418 ' HG ' HD12 ' A' ' 180' ' ' LEU . 10.0 p -112.66 166.19 11.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 0.799 . . . . 0.0 110.016 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -92.15 83.25 5.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.662 HD11 ' CZ3' ' A' ' 153' ' ' TRP . 22.2 mt -126.71 154.9 75.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.535 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.4 Cg_endo -74.99 163.27 35.7 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.476 1.777 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.2 Cg_endo -75.01 81.92 2.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.459 1.768 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.4 OUTLIER 159.18 -26.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.535 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -84.08 -11.3 56.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . 0.513 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 20.3 mtm180 -84.11 71.3 10.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.92 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 174.3 -56.95 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' PRO . . . . . 0.92 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -75.01 -26.75 10.6 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.781 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 7.9 t -69.89 -41.08 79.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.658 HD12 ' HG3' ' A' ' 215' ' ' PRO . 50.5 mt -68.1 -48.28 74.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' ILE . . . . . 0.833 HD11 ' C ' ' A' ' 214' ' ' THR . 77.1 mt -63.1 -40.11 87.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 195' ' ' GLN . 9.2 t0 -62.2 -38.95 91.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' CYS . . . . . 0.429 ' SG ' HD21 ' A' ' 171' ' ' LEU . 65.2 m -54.1 -44.18 71.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 108.352 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' PHE . . . . . 0.501 ' CD2' ' HA ' ' A' ' 190' ' ' ILE . 18.0 m-30 -60.02 -38.38 82.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' ARG . . . . . 0.479 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 0.0 OUTLIER -106.1 27.68 8.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 191' ' ' ASP . 1.0 OUTLIER -113.98 -39.09 4.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.235 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 196' ' ' LYS . . . . . 0.91 ' HD2' HG22 ' A' ' 157' ' ' THR . 0.0 OUTLIER -151.35 63.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.35 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 197' ' ' SER . . . . . 0.478 ' HB2' ' CG ' ' A' ' 158' ' ' GLN . 0.4 OUTLIER -148.64 164.54 34.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 198' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 197' ' ' SER . 0.0 OUTLIER -40.95 163.7 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 199' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 203' ' ' GLN . 18.2 Cg_endo -75.04 -32.34 5.41 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.801 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -63.86 -46.39 85.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 19.1 mm -69.51 -45.8 77.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -64.07 -42.4 96.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 199' ' ' PRO . 6.0 tp60 -64.17 -30.36 71.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.857 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.2 OUTLIER -70.66 -49.8 43.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.479 ' CG2' ' HB3' ' A' ' 194' ' ' ARG . 0.7 OUTLIER -63.86 -44.04 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.92 -33.8 76.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -92.54 5.59 50.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 208' ' ' ALA . . . . . 0.524 ' HA ' ' CZ ' ' A' ' 221' ' ' TYR . . . -60.42 160.47 17.97 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.24 33.6 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.65 8.28 14.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.015 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 3.8 t -92.06 -5.26 53.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.437 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 212' ' ' LEU . . . . . 0.747 ' O ' HG23 ' A' ' 213' ' ' THR . 2.5 pp -155.07 151.64 28.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.747 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.6 p -161.22 49.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 214' ' ' THR . . . . . 0.833 ' C ' HD11 ' A' ' 190' ' ' ILE . 33.4 p -114.59 156.91 44.08 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 215' ' ' PRO . . . . . 0.658 ' HG3' HD12 ' A' ' 189' ' ' ILE . 18.4 Cg_endo -74.98 10.98 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.48 1.779 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 216' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 214' ' ' THR . . . -116.03 -51.07 0.41 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . 0.431 ' OE1' ' CB ' ' A' ' 212' ' ' LEU . 12.4 mt-10 -64.56 -48.7 74.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 218' ' ' ILE . . . . . 0.615 HD12 HD13 ' A' ' 212' ' ' LEU . 1.5 mp -54.09 -32.8 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 219' ' ' ILE . . . . . 0.869 ' CG2' HG22 ' A' ' 165' ' ' VAL . 3.7 mm -62.2 -52.85 55.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.083 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -45.3 89.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.744 ' CZ ' HD23 ' A' ' 204' ' ' LEU . 2.3 t80 -56.09 -51.03 69.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.526 ' HA ' HD22 ' A' ' 204' ' ' LEU . 2.4 t -59.87 -51.61 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.865 HD11 HG21 ' A' ' 165' ' ' VAL . 91.9 mt -56.71 -35.76 68.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -65.98 -47.26 75.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . 0.857 ' HB3' HD11 ' A' ' 204' ' ' LEU . 0.6 OUTLIER -65.62 -32.58 74.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.333 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . 0.423 ' NE2' HD23 ' A' ' 223' ' ' LEU . 60.3 mt-30 -52.69 -56.26 16.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -48.36 129.48 15.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 228' ' ' ILE . . . . . 0.543 HG23 ' O ' ' A' ' 228' ' ' ILE . 0.5 OUTLIER -133.42 97.87 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . -144.33 159.61 51.45 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 110.959 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.2 p -130.66 112.93 16.46 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.385 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 128.71 11.73 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.456 1.766 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tp -62.48 106.22 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.456 ' O ' ' CG1' ' A' ' 19' ' ' ILE . 10.6 tp10 -116.88 128.03 26.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -42.12 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.553 1.818 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -48.23 80.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.2 mt -68.6 -46.34 69.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.891 HG21 HD12 ' A' ' 56' ' ' LEU . 46.5 mt -58.28 -38.44 68.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 m -61.3 -40.83 95.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.433 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -66.43 -48.49 69.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.603 HD21 ' HG2' ' A' ' 39' ' ' GLU . 3.5 tt -61.09 -43.65 98.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.82 -32.41 70.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.946 ' O ' HG23 ' A' ' 28' ' ' THR . 0.5 OUTLIER -62.3 -40.35 95.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.517 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -62.69 -38.26 89.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.812 HG13 ' OG1' ' A' ' 36' ' ' THR . 15.2 t -58.81 -46.53 90.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -64.73 -48.34 74.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.248 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.946 HG23 ' O ' ' A' ' 24' ' ' ASP . 52.5 p -61.38 -37.82 84.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.381 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 25' ' ' THR . 7.3 mmmt -82.57 -12.69 57.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.57 124.96 4.79 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.757 HD12 HG12 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -67.44 -21.98 65.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 0.73 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 mtp85 -89.32 0.36 56.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.69 161.17 45.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.98 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -11.04 21.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.487 1.782 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.403 HD12 ' HE3' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -69.53 -29.1 40.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.812 ' OG1' HG13 ' A' ' 26' ' ' VAL . 18.1 m -61.55 -49.14 77.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.33 -34.41 78.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.44 -52.54 25.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.603 ' HG2' HD21 ' A' ' 22' ' ' LEU . 3.6 mt-10 -61.4 -45.62 93.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.343 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 36' ' ' THR . 63.0 t -59.55 -47.67 90.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.498 ' HG3' HD22 ' A' ' 137' ' ' LEU . 9.7 mt-10 -63.25 -23.28 67.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -64.42 -55.49 20.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 1.065 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -72.84 -46.88 50.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.508 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 24.2 mtt -70.76 -10.71 60.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' GLU . 5.4 t -35.93 -34.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.4 OUTLIER -108.92 165.92 11.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.956 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 149.63 37.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.806 . . . . 0.0 111.029 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.825 HD13 HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -146.55 -179.9 7.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.879 HD21 ' HB2' ' A' ' 121' ' ' ALA . 1.5 mm? -80.67 165.44 45.75 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.419 ' HD3' HD13 ' A' ' 49' ' ' LEU . 18.1 Cg_endo -75.04 -35.87 2.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.464 1.771 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.443 ' O ' ' OG1' ' A' ' 54' ' ' THR . 1.3 t-160 -67.96 -40.96 83.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.608 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 0.6 OUTLIER -64.88 -32.38 74.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.825 HG23 HD13 ' A' ' 48' ' ' LEU . 2.7 t -58.56 -46.72 89.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 51' ' ' HIS . 77.4 p -67.32 -42.7 83.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.402 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.482 ' ND2' ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -63.54 -40.17 96.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.065 HD21 ' CD1' ' A' ' 43' ' ' LEU . 7.3 tp -68.37 -51.51 43.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.521 ' HG2' ' CE2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -57.78 -44.09 86.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -55.04 -36.44 65.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.336 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 55' ' ' ASN . 35.6 t -68.89 -33.76 60.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.415 1.072 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.625 ' HB ' HD23 ' A' ' 61' ' ' LEU . 2.9 mt -79.82 -43.95 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.625 HD23 ' HB ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -120.94 131.15 54.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.518 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -54.1 -166.94 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -24.16 13.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.908 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -69.0 -57.69 7.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.908 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -74.98 2.84 6.17 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.545 1.813 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.43 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 54.8 t80 -72.72 -46.4 53.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.91 -29.19 69.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.578 HD23 HG13 ' A' ' 143' ' ' VAL . 3.7 mp -63.55 -48.87 75.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.793 ' CH2' ' CE3' ' A' ' 73' ' ' TRP . 36.3 t90 -69.75 -39.22 76.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 107.981 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.436 ' HE1' ' HB ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -59.37 -45.03 92.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.36 -46.72 79.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.01 -28.57 67.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.793 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 16.8 t90 -71.6 -40.22 69.98 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.3 -48.1 87.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.4 t -68.11 -47.16 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.451 ' OE1' ' CB ' ' A' ' 138' ' ' GLN . 48.9 mm-40 -54.85 -44.46 73.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.585 ' HB3' HD11 ' A' ' 103' ' ' LEU . 2.7 mt -59.76 -45.76 91.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.445 ' HA ' HD13 ' A' ' 103' ' ' LEU . 24.4 mt-30 -60.09 -34.2 73.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 76' ' ' GLN . 0.9 OUTLIER -61.73 -35.67 78.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.409 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.453 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 2.2 t -71.06 -34.33 54.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.536 ' CD1' ' CG2' ' A' ' 101' ' ' THR . 18.6 mm -68.18 -47.95 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.77 -50.94 54.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.71 -40.67 76.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.504 ' HA ' ' CD2' ' A' ' 90' ' ' HIS . . . -62.66 -35.84 80.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.54 -38.45 65.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.375 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.59 -29.3 62.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -118.7 107.0 43.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 54.51 3.68 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.464 1.771 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -156.58 24.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.504 ' CD2' ' HA ' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -89.28 139.04 28.48 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.604 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -21.42 15.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.461 1.769 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.792 ' HB1' ' CG2' ' A' ' 101' ' ' THR . . . -63.05 -24.45 67.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 90' ' ' HIS . 19.2 p30 -93.84 154.88 17.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 138.21 89.14 0.21 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -132.14 -61.5 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.736 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -146.8 -128.08 1.86 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -83.05 0.25 45.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.764 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -95.51 -49.74 2.12 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.567 1.167 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 59.12 55.64 4.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 110.315 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 -122.48 138.64 54.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.792 ' CG2' ' HB1' ' A' ' 92' ' ' ALA . 18.9 m -70.36 164.73 23.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.399 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.426 ' CB ' ' HD2' ' A' ' 105' ' ' ARG . 6.7 m120 -142.36 120.93 12.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.585 HD11 ' HB3' ' A' ' 77' ' ' LEU . 4.8 tp -61.88 -30.3 70.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.21 -44.78 82.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.426 ' HD2' ' CB ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -57.69 -47.32 82.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.444 HD13 ' CD2' ' A' ' 77' ' ' LEU . 97.2 mt -70.42 -26.73 63.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -54.91 -48.81 72.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.936 ' O ' HG13 ' A' ' 114' ' ' VAL . . . 100.76 5.9 53.14 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.447 1.092 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -89.04 -0.03 57.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.471 ' HB3' ' HG2' ' A' ' 113' ' ' MET . . . -58.72 165.3 2.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.73 122.03 18.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.99 -17.7 44.72 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.963 ' SD ' HD13 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -68.62 -35.98 78.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 110.999 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.936 HG13 ' O ' ' A' ' 108' ' ' GLY . 0.2 OUTLIER -98.41 132.71 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.07 2.01 66.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 71.6 m-80 -155.5 101.67 2.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -61.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.791 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -53.89 -52.73 59.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.87 -33.87 75.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.448 ' CG ' HD11 ' A' ' 124' ' ' LEU . 24.2 tt0 -66.04 -43.72 86.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.879 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -65.94 -31.64 72.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.69 -22.02 54.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.963 HD13 ' SD ' ' A' ' 113' ' ' MET . 2.0 tt -80.64 -38.0 29.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.448 HD11 ' CG ' ' A' ' 120' ' ' GLN . 0.3 OUTLIER -85.63 176.25 8.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.445 ' NH1' ' O ' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -99.01 156.4 35.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.253 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.61 2.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.552 1.817 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 147.63 -38.88 1.05 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -31.97 72.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.415 ' HA ' HD12 ' A' ' 132' ' ' ILE . 3.3 mt -58.79 -48.34 81.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 22.7 t -59.33 -39.92 80.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.57 -47.08 87.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.431 ' CG1' HD22 ' A' ' 106' ' ' LEU . 21.1 mt -61.64 -38.31 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.469 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 24.2 m -68.4 -39.23 81.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.379 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.45 -48.14 65.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 83.8 p -66.3 -34.07 77.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.28 93.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.554 HD21 HG12 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -69.99 -36.88 75.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.451 ' CB ' ' OE1' ' A' ' 76' ' ' GLN . 3.6 mt-30 -67.49 -31.47 71.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.344 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -73.28 -34.96 66.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.669 ' CE1' HG21 ' A' ' 36' ' ' THR . 6.6 t80 -67.25 -55.16 15.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -59.1 -24.86 63.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -66.34 -42.93 87.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.578 HG13 HD23 ' A' ' 68' ' ' LEU . 25.6 t -70.63 -42.72 77.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -67.73 -21.18 65.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -33.14 59.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.12 107.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -173.06 163.25 4.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -117.96 141.98 30.14 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 158.37 42.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -103.91 151.99 22.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 147.65 82.39 0.04 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.57 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.4 Cg_endo -75.01 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.513 1.796 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' TRP . . . . . 0.683 ' CH2' HD11 ' A' ' 180' ' ' LEU . 29.6 p90 -100.98 -20.36 15.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 107.991 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.5 -33.15 70.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -83.14 -22.13 33.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.683 HG22 ' CE1' ' A' ' 167' ' ' PHE . 67.7 mt -76.0 120.88 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.66 HG23 ' HD2' ' A' ' 196' ' ' LYS . 5.8 m -130.88 143.64 50.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.561 ' HG2' ' CD2' ' A' ' 167' ' ' PHE . 0.0 OUTLIER -85.84 120.62 27.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.249 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -115.53 166.76 12.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.25 18.87 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.802 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.59 -34.99 53.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -100.48 135.25 42.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.256 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.82 147.23 28.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.605 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.9 OUTLIER -62.85 -51.68 66.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.947 HG23 HG21 ' A' ' 219' ' ' ILE . 0.5 OUTLIER -62.37 -43.2 97.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -58.22 -47.7 82.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.683 ' CE1' HG22 ' A' ' 156' ' ' ILE . 59.1 t80 -64.49 -42.13 96.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.4 ' O ' HD12 ' A' ' 172' ' ' ILE . . . -55.46 -39.72 70.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -61.75 -47.18 86.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 29.1 mmt85 -59.24 -41.19 88.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.592 HD12 ' CZ ' ' A' ' 167' ' ' PHE . 0.5 OUTLIER -66.89 -46.74 73.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.51 HG12 HD13 ' A' ' 189' ' ' ILE . 13.0 mt -58.62 -43.34 87.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -61.46 -38.79 88.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -67.46 -51.2 54.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 0.64 HG13 HD12 ' A' ' 180' ' ' LEU . 24.5 t -57.21 -39.19 65.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.439 ' OE1' ' NH2' ' A' ' 185' ' ' ARG . 0.0 OUTLIER -64.96 -56.22 14.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -50.59 -33.09 25.36 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 41.9 p -73.72 166.04 24.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -102.7 54.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.683 HD11 ' CH2' ' A' ' 153' ' ' TRP . 10.9 mt -69.02 160.08 80.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.628 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.2 Cg_endo -74.93 163.86 34.59 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . 0.41 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.3 Cg_endo -75.04 76.73 3.33 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.4 OUTLIER 165.22 -30.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.628 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -85.71 -11.26 54.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . 0.568 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 47.5 mtp180 -87.04 67.49 9.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.845 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 171.57 -55.8 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' PRO . . . . . 0.845 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -75.03 -30.38 7.18 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.768 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.421 HG21 ' HB1' ' A' ' 184' ' ' ALA . 54.7 t -64.13 -38.22 81.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.524 HG13 HG21 ' A' ' 175' ' ' VAL . 22.0 mt -68.11 -48.02 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' ILE . . . . . 0.53 ' CD1' ' C ' ' A' ' 213' ' ' THR . 55.7 mt -68.13 -34.94 69.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 187' ' ' PRO . 16.2 t0 -58.23 -43.51 87.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 21.4 m -59.9 -48.62 80.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 108.253 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 193' ' ' PHE . . . . . 0.472 ' CZ ' HG22 ' A' ' 189' ' ' ILE . 10.6 m-30 -53.69 -40.71 66.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -94.49 10.07 36.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -88.73 -44.08 10.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 196' ' ' LYS . . . . . 0.66 ' HD2' HG23 ' A' ' 157' ' ' THR . 4.7 ttmt -139.12 -90.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 197' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 196' ' ' LYS . 1.8 m 37.8 -156.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.024 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 198' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -96.2 169.91 8.31 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 199' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' A' ' 203' ' ' GLN . 18.4 Cg_endo -74.97 -36.07 2.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' ASP . . . . . 0.468 ' CG ' ' N ' ' A' ' 201' ' ' ILE . 3.4 p-10 -65.06 -50.12 67.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.468 ' N ' ' CG ' ' A' ' 200' ' ' ASP . 32.5 mm -68.42 -40.95 83.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -66.94 -40.14 87.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.326 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . 0.435 ' O ' ' NE2' ' A' ' 203' ' ' GLN . 36.3 tp60 -65.3 -31.71 72.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.876 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.6 OUTLIER -70.26 -49.93 44.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.578 HG13 HG21 ' A' ' 222' ' ' VAL . 6.2 mt -64.34 -37.49 80.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 14.8 mtt-85 -63.57 -33.59 75.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -87.94 2.96 50.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 208' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -60.01 155.07 46.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . 0.659 ' HD2' HD11 ' A' ' 212' ' ' LEU . 18.4 Cg_endo -74.96 155.15 43.1 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.71 26.34 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 3.3 t -111.27 -7.49 14.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.545 1.153 . . . . 0.0 110.454 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 212' ' ' LEU . . . . . 0.659 HD11 ' HD2' ' A' ' 209' ' ' PRO . 0.5 OUTLIER -140.22 167.0 23.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.536 ' HA ' HD11 ' A' ' 218' ' ' ILE . 0.4 OUTLIER 176.76 43.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 214' ' ' THR . . . . . 0.432 ' C ' HD11 ' A' ' 190' ' ' ILE . 69.5 p -117.43 156.24 49.31 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.415 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 215' ' ' PRO . . . . . 0.478 ' HG3' HD12 ' A' ' 189' ' ' ILE . 18.3 Cg_endo -75.05 54.39 3.65 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.5 1.789 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -156.4 -58.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 221' ' ' TYR . 1.7 mp0 -74.98 -29.27 60.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 0.744 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 218' ' ' ILE . . . . . 0.536 HD11 ' HA ' ' A' ' 213' ' ' THR . 1.3 mp -66.1 -46.74 87.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 219' ' ' ILE . . . . . 0.947 HG21 HG23 ' A' ' 165' ' ' VAL . 4.1 mt -70.05 -50.56 46.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 220' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 221' ' ' TYR . 0.0 OUTLIER -55.53 -39.88 71.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.437 ' CB ' ' O ' ' A' ' 217' ' ' GLU . 8.4 t80 -63.93 -50.59 68.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.713 HG13 HD13 ' A' ' 204' ' ' LEU . 12.2 t -60.51 -43.87 95.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 36.1 mt -62.4 -40.6 97.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -62.95 -49.99 72.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . 0.876 ' HB3' HD11 ' A' ' 204' ' ' LEU . 3.9 tpt180 -60.48 -39.88 89.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -52.62 -49.28 65.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.6 173.26 4.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.233 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 228' ' ' ILE . . . . . 0.633 ' O ' ' HB2' ' A' ' 229' ' ' ALA . 3.0 tt -89.06 172.91 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 229' ' ' ALA . . . . . 0.838 ' HB3' ' HD3' ' A' ' 230' ' ' PRO . . . 167.68 -54.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 230' ' ' PRO . . . . . 0.838 ' HD3' ' HB3' ' A' ' 229' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 4.8 m95 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.572 HG23 ' HD2' ' A' ' 13' ' ' PRO . 16.2 m -102.64 142.79 25.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.572 ' HD2' HG23 ' A' ' 12' ' ' THR . 18.5 Cg_endo -74.99 145.68 31.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.059 ' CD1' HD11 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -62.01 155.9 22.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.429 ' CD ' HD12 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -83.66 127.91 65.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 15' ' ' GLU . 18.4 Cg_endo -75.02 -26.59 10.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.494 1.786 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 18' ' ' LEU . 9.7 pttt -57.42 -49.93 74.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.429 HD12 ' CD ' ' A' ' 15' ' ' GLU . 27.9 mt -63.7 -37.09 86.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.059 HD11 ' CD1' ' A' ' 14' ' ' LEU . 18.1 mt -65.29 -37.08 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.401 ' O ' ' CG ' ' A' ' 24' ' ' ASP . 26.1 m -60.04 -37.64 80.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.372 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -48.3 74.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.475 HD21 ' HG3' ' A' ' 39' ' ' GLU . 0.4 OUTLIER -66.5 -40.4 89.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.24 -33.88 77.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.771 ' O ' HG23 ' A' ' 28' ' ' THR . 94.2 m-20 -62.16 -42.71 99.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.498 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.2 m -60.98 -37.93 84.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.395 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.905 ' CG1' HG23 ' A' ' 36' ' ' THR . 63.5 t -62.05 -41.88 92.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -62.74 -48.35 79.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.771 HG23 ' O ' ' A' ' 24' ' ' ASP . 19.1 p -70.37 -29.33 65.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.694 ' CB ' HG21 ' A' ' 35' ' ' ILE . 20.8 mmtt -85.67 -13.86 47.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 97.05 119.02 3.74 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.94 -27.96 69.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 0.738 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.19 -0.25 57.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.01 169.15 15.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.974 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -30.96 6.61 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.694 HG21 ' CB ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -53.06 -22.81 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.905 HG23 ' CG1' ' A' ' 26' ' ' VAL . 50.3 m -65.54 -49.41 69.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 28.0 mmt -64.45 -35.69 81.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.23 -52.02 38.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.524 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -61.17 -47.43 86.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 36' ' ' THR . 53.0 t -60.56 -44.7 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.252 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 45' ' ' SER . 34.6 mt-10 -67.34 -24.35 65.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -62.32 -55.08 31.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.713 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -72.87 -46.62 51.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.357 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.573 ' HB3' HG22 ' A' ' 133' ' ' THR . 27.3 mtt -68.67 -11.25 59.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 41' ' ' GLU . 7.3 t -37.92 -31.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -108.82 165.83 11.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.983 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.86 34.56 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.444 HD13 HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -149.31 172.73 14.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.992 HD21 ' HB2' ' A' ' 121' ' ' ALA . 0.2 OUTLIER -74.91 165.18 56.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.499 ' O ' HG23 ' A' ' 54' ' ' THR . 18.2 Cg_endo -75.06 -31.48 6.09 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -41.29 82.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.616 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.43 ' HA ' ' OD1' ' A' ' 55' ' ' ASN . 48.1 m-20 -63.76 -32.65 74.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 49' ' ' LEU . 41.2 t -59.24 -44.93 93.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 50' ' ' PRO . 29.3 p -66.57 -46.64 75.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.514 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -63.47 -34.08 76.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.713 HD21 ' CD1' ' A' ' 43' ' ' LEU . 11.0 tp -71.82 -53.72 12.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.462 ' HG2' ' CE2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -57.33 -46.09 83.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 61' ' ' LEU . 30.4 ttt180 -56.91 -36.02 69.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 55' ' ' ASN . 17.4 t -71.13 -35.58 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.432 ' HB ' HD23 ' A' ' 61' ' ' LEU . 4.6 mt -77.65 -43.87 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.444 HD22 ' CE2' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -124.75 137.95 54.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.457 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -48.57 178.97 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.488 1.118 . . . . 0.0 111.027 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.425 ' HA ' ' HB3' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.02 -18.83 18.37 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.43 1.752 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.971 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -69.25 -60.21 4.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.971 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.98 -1.3 11.04 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.454 1.765 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.544 ' CZ ' ' SD ' ' A' ' 70' ' ' MET . 34.5 t80 -78.09 -42.01 33.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.26 90.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' A' ' 65' ' ' PRO . 6.0 mp -62.05 -37.34 84.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.667 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 16.0 t90 -67.97 -35.76 78.91 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.544 ' SD ' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -63.55 -44.26 94.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.85 -43.71 98.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.29 -31.34 64.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.667 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 20.4 t90 -65.9 -47.31 75.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 108.015 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.88 -44.01 92.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.3 t -68.02 -44.19 84.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 0.77 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.584 ' O ' HG22 ' A' ' 79' ' ' THR . 80.3 mm-40 -58.49 -46.23 87.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.745 ' CD2' HD13 ' A' ' 106' ' ' LEU . 2.7 mt -57.55 -47.04 83.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.587 ' HG3' HD21 ' A' ' 103' ' ' LEU . 42.7 mt-30 -58.66 -30.26 67.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.584 HG22 ' O ' ' A' ' 76' ' ' GLN . 0.5 OUTLIER -65.66 -35.25 80.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.384 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.709 HG12 HD12 ' A' ' 81' ' ' ILE . 0.9 OUTLIER -71.14 -44.13 74.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.709 HD12 HG12 ' A' ' 80' ' ' VAL . 1.5 mp -64.93 -49.27 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.402 ' HA ' HG22 ' A' ' 85' ' ' THR . . . -65.94 -33.75 76.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 79' ' ' THR . . . -67.61 -44.89 76.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.621 ' HB1' ' HB3' ' A' ' 93' ' ' ASN . . . -65.57 -51.05 62.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.428 ' CB ' ' HD2' ' A' ' 100' ' ' ARG . 1.2 t -62.29 -30.52 71.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.363 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 82' ' ' ALA . 0.9 OUTLIER -75.78 -39.38 57.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.297 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 87' ' ' ASP . 3.1 p30 -134.33 119.0 14.07 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 55.12 3.88 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -134.74 15.86 3.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.518 ' CB ' ' OD1' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -91.44 138.95 25.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.643 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.2 Cg_endo -75.02 -22.0 15.23 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.487 1.783 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.403 ' O ' ' HB ' ' A' ' 101' ' ' THR . . . -80.37 -13.11 59.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.621 ' HB3' ' HB1' ' A' ' 84' ' ' ALA . 1.1 p-10 -119.6 154.38 34.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -100.69 -85.2 1.85 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.465 1.103 . . . . 0.0 110.951 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -171.95 -50.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 110.332 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.43 174.1 1.0 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.8 0.2 31.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 0.793 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -111.11 -49.06 0.68 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.482 ' O ' ' C ' ' A' ' 100' ' ' ARG . 1.7 mm-40 -49.91 -48.58 51.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 99' ' ' GLU . 20.3 ttp180 -32.41 137.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.25 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.595 HG23 HG13 ' A' ' 81' ' ' ILE . 1.5 t -70.51 170.33 12.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.409 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -155.6 152.19 28.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.587 HD21 ' HG3' ' A' ' 78' ' ' GLN . 1.4 tp -55.82 -43.06 76.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -62.87 -43.08 99.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.434 ' NH1' ' O ' ' A' ' 99' ' ' GLU . 3.5 ttp180 -59.71 -46.81 87.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.333 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.745 HD13 ' CD2' ' A' ' 77' ' ' LEU . 31.0 mt -72.68 -15.99 61.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -78.5 -42.02 30.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 102.16 25.6 7.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.599 ' HA ' HG22 ' A' ' 114' ' ' VAL . 17.2 tp -98.99 5.3 47.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.421 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -60.32 157.01 14.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -56.48 124.47 18.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.99 2.28 71.07 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.542 1.151 . . . . 0.0 110.962 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.639 ' SD ' HD21 ' A' ' 124' ' ' LEU . 30.4 ttm -101.72 -9.47 20.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.764 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.599 HG22 ' HA ' ' A' ' 109' ' ' LEU . 0.9 OUTLIER -92.08 123.16 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 86.45 3.05 84.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.482 ' O ' ' CB ' ' A' ' 120' ' ' GLN . 12.2 t-20 -124.52 103.44 31.93 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -71.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -53.92 -47.21 71.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.01 -36.52 88.74 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.529 ' CG ' HD11 ' A' ' 124' ' ' LEU . 28.9 tt0 -65.49 -43.59 89.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 0.762 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.992 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -65.95 -35.56 80.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.92 -17.72 58.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.466 HD13 ' HE2' ' A' ' 113' ' ' MET . 1.0 OUTLIER -83.42 -36.9 23.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.639 HD21 ' SD ' ' A' ' 113' ' ' MET . 0.2 OUTLIER -87.76 132.94 33.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.41 157.17 3.62 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 109.11 2.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.1 -37.19 1.26 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -33.52 70.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.9 -44.04 94.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 41.6 t -59.8 -39.87 81.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.74 78.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 50.2 mt -67.32 -40.32 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.573 HG22 ' HB3' ' A' ' 44' ' ' MET . 3.7 m -63.4 -49.12 75.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.429 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.33 -47.49 85.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 56.7 m -61.49 -34.02 74.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.976 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.49 -42.93 91.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.511 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -66.42 -35.23 79.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -36.57 81.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.428 1.08 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.401 ' HB3' ' NE1' ' A' ' 69' ' ' TRP . . . -68.37 -32.05 71.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 109.235 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.444 ' CE2' HD22 ' A' ' 61' ' ' LEU . 22.0 t80 -64.41 -62.27 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -52.87 -25.29 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.56 -40.03 77.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.407 HG22 ' HB3' ' A' ' 68' ' ' LEU . 13.6 t -74.17 -41.07 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.46 -46.78 87.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -38.43 70.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 12.4 tp -79.96 105.96 11.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.244 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -66.7 123.8 21.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.4 123.33 88.16 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 87.1 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -72.3 141.52 48.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.404 ' O ' ' HB3' ' A' ' 154' ' ' ALA . . . -50.27 139.25 20.74 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.432 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo -74.95 -42.15 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.45 1.763 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' TRP . . . . . 0.792 ' CH2' HD11 ' A' ' 180' ' ' LEU . 16.5 p90 -51.01 -29.09 11.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 108.0 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 151' ' ' GLY . . . -56.75 -32.85 65.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.52 -20.76 39.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.648 HG22 ' CZ ' ' A' ' 167' ' ' PHE . 12.1 mt -80.29 120.34 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.597 ' C ' ' CE2' ' A' ' 167' ' ' PHE . 20.7 m -131.76 125.19 31.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.652 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 0.0 OUTLIER -62.83 129.71 41.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.314 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.418 ' O ' ' NE2' ' A' ' 158' ' ' GLN . . . -107.23 154.24 16.66 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 111.025 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -18.09 19.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 15.4 p -90.73 -20.03 22.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -104.48 135.39 45.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.328 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 35.7 t -57.58 133.35 55.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 168' ' ' ALA . 2.0 t80 -61.4 -33.02 72.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.95 ' CG2' HD11 ' A' ' 223' ' ' LEU . 1.5 t -70.88 -52.96 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -56.28 -48.94 75.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.652 ' CZ ' ' N ' ' A' ' 158' ' ' GLN . 15.5 t80 -64.7 -33.71 76.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 164' ' ' PHE . . . -60.57 -50.24 74.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . 0.556 ' HA ' HG12 ' A' ' 172' ' ' ILE . 50.0 m-80 -52.5 -42.12 64.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -57.74 -37.6 73.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.629 HD11 ' HB3' ' A' ' 192' ' ' CYS . 0.3 OUTLIER -67.57 -32.66 73.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.651 ' N ' HD13 ' A' ' 172' ' ' ILE . 1.5 mm -68.2 -48.59 73.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -62.15 -36.63 82.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.401 ' CB ' HD11 ' A' ' 156' ' ' ILE . . . -68.52 -52.48 31.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 0.699 HG13 HD12 ' A' ' 180' ' ' LEU . 41.6 t -57.04 -45.73 84.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.91 -54.35 48.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -44.53 -34.62 3.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.115 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 3.5 p -77.46 166.06 23.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 110.013 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -103.07 56.47 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.792 HD11 ' CH2' ' A' ' 153' ' ' TRP . 14.8 mt -69.02 159.06 84.66 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.668 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.3 Cg_endo -75.01 165.67 30.82 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.428 1.752 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.1 Cg_endo -75.05 80.42 2.45 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.5 OUTLIER 159.74 -27.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.527 1.142 . . . . 0.0 109.962 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.668 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -84.07 -12.73 54.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . 0.57 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 24.4 mtm180 -87.9 70.53 9.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.875 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 171.54 -56.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' PRO . . . . . 0.875 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -74.96 -37.04 2.23 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 184' ' ' ALA . 89.0 t -58.14 -41.14 79.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.591 HG13 HG21 ' A' ' 175' ' ' VAL . 14.3 mt -63.92 -48.18 87.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' ILE . . . . . 0.596 HG23 HG21 ' A' ' 218' ' ' ILE . 47.7 mt -65.68 -37.35 79.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 195' ' ' GLN . 0.3 OUTLIER -61.69 -42.58 99.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 192' ' ' CYS . . . . . 0.629 ' HB3' HD11 ' A' ' 171' ' ' LEU . 1.9 m -53.57 -47.78 69.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 108.306 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 193' ' ' PHE . . . . . 0.412 ' HB2' ' O ' ' A' ' 190' ' ' ILE . 17.1 m-30 -55.75 -28.07 54.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 194' ' ' ARG . . . . . 0.511 ' CD ' ' O ' ' A' ' 194' ' ' ARG . 1.1 ppt_? -120.77 30.34 6.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 191' ' ' ASP . 0.5 OUTLIER -115.63 -56.5 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 196' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 197' ' ' SER . 0.1 OUTLIER -118.03 -43.19 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 197' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 196' ' ' LYS . 0.9 OUTLIER -37.04 155.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 198' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 197' ' ' SER . 1.7 mp0 -41.99 165.06 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -33.61 4.47 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -59.54 -50.36 74.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 8.1 mm -70.2 -41.61 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' GLN . . . . . 0.404 ' OE1' ' C ' ' A' ' 194' ' ' ARG . 3.8 tt0 -61.65 -44.51 96.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -59.97 -30.98 69.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.765 HD13 HG13 ' A' ' 222' ' ' VAL . 0.5 OUTLIER -67.7 -46.67 71.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.499 ' CG2' ' HB3' ' A' ' 194' ' ' ARG . 1.5 mp -65.86 -44.84 92.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -33.88 76.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.34 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -92.93 5.2 52.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 208' ' ' ALA . . . . . 0.509 ' HA ' ' CZ ' ' A' ' 221' ' ' TYR . . . -67.37 158.53 81.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . 0.833 ' HD2' HD11 ' A' ' 212' ' ' LEU . 18.2 Cg_endo -75.01 154.06 42.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.5 6.74 22.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . 0.482 ' O ' ' CG2' ' A' ' 211' ' ' THR . 1.0 OUTLIER -92.97 4.55 53.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 212' ' ' LEU . . . . . 0.833 HD11 ' HD2' ' A' ' 209' ' ' PRO . 1.7 pp -154.27 121.37 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.469 ' C ' ' CD1' ' A' ' 190' ' ' ILE . 1.2 p -140.78 35.84 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.353 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 214' ' ' THR . . . . . 0.483 ' CA ' HD11 ' A' ' 190' ' ' ILE . 3.3 p -121.97 157.72 56.92 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.366 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 57.81 4.69 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -160.83 -52.59 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -74.67 -39.23 62.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 218' ' ' ILE . . . . . 0.601 HD13 ' CD1' ' A' ' 212' ' ' LEU . 15.5 mm -58.58 -37.28 64.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 219' ' ' ILE . . . . . 0.416 HG21 HG22 ' A' ' 165' ' ' VAL . 15.1 mt -71.94 -50.79 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 220' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 221' ' ' TYR . 0.0 OUTLIER -56.38 -33.32 65.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.723 ' CE2' HD22 ' A' ' 204' ' ' LEU . 1.3 t80 -74.76 -46.91 34.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.765 HG13 HD13 ' A' ' 204' ' ' LEU . 8.6 t -60.68 -51.27 75.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.95 HD11 ' CG2' ' A' ' 165' ' ' VAL . 67.4 mt -59.85 -36.03 76.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -71.48 -24.34 61.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . 0.488 ' CB ' HD21 ' A' ' 204' ' ' LEU . 2.1 ttm180 -92.32 -10.44 38.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . 0.507 ' NE2' HD23 ' A' ' 223' ' ' LEU . 38.4 mt-30 -67.4 -53.76 26.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? 172.61 -40.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 228' ' ' ILE . . . . . 0.549 ' O ' ' HB2' ' A' ' 229' ' ' ALA . 4.7 mt 73.36 -60.81 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 229' ' ' ALA . . . . . 0.887 ' HB3' ' HD3' ' A' ' 230' ' ' PRO . . . 172.29 -56.2 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.36 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 230' ' ' PRO . . . . . 0.887 ' HD3' ' HB3' ' A' ' 229' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.515 1.798 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.2 m0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 2.7 m -102.83 133.38 20.43 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 12' ' ' THR . 18.3 Cg_endo -74.98 145.9 32.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.552 ' O ' HD23 ' A' ' 14' ' ' LEU . 5.1 tt -61.91 98.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.17 138.59 39.44 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -41.64 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 111.025 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 27.7 pttt -64.43 -47.23 79.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 15.4 mt -59.16 -37.05 76.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.483 HG23 ' CD1' ' A' ' 56' ' ' LEU . 4.5 mt -65.87 -37.26 79.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.5 m -61.34 -40.6 94.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.415 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -61.34 -48.55 80.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.627 HD23 ' HG2' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -66.41 -36.52 83.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.96 76.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.854 ' O ' HG23 ' A' ' 28' ' ' THR . 0.1 OUTLIER -65.02 -45.47 85.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.453 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.7 m -59.04 -39.24 81.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.603 HG13 ' OG1' ' A' ' 36' ' ' THR . 12.1 t -59.01 -45.79 92.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -66.75 -48.63 68.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.854 HG23 ' O ' ' A' ' 24' ' ' ASP . 35.0 p -68.35 -18.81 64.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.431 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.525 ' HB3' HG21 ' A' ' 35' ' ' ILE . 25.9 mmtt -95.18 -14.55 24.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.51 126.49 4.66 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.403 ' CD2' HG12 ' A' ' 26' ' ' VAL . 2.6 mm? -67.83 -40.01 83.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -88.33 2.52 52.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.349 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 1.4 t -93.47 155.54 40.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.036 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -74.94 102.83 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.525 HG21 ' HB3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER 164.39 -30.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.603 ' OG1' HG13 ' A' ' 26' ' ' VAL . 11.6 m -59.2 -48.28 82.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.434 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.93 -36.91 85.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 111.057 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.6 -52.2 41.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.627 ' HG2' HD23 ' A' ' 22' ' ' LEU . 2.5 mt-10 -60.17 -46.31 90.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 36' ' ' THR . 55.5 t -62.77 -41.09 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.462 ' HG3' ' CD2' ' A' ' 137' ' ' LEU . 12.5 mt-10 -68.26 -25.09 64.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -65.01 -54.23 33.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.701 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -72.14 -46.0 58.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 1.019 ' SD ' HD21 ' A' ' 48' ' ' LEU . 0.8 OUTLIER -71.38 -10.86 60.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 41' ' ' GLU . 51.4 p -37.16 -32.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' MET . 1.3 p -106.25 165.42 13.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.994 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 118.99 5.47 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.019 HD21 ' SD ' ' A' ' 44' ' ' MET . 0.4 OUTLIER -108.13 -176.75 3.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.841 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -87.86 164.37 34.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.442 ' HB3' HD13 ' A' ' 132' ' ' ILE . 18.4 Cg_endo -74.95 -41.89 0.6 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -68.16 -40.93 82.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.583 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.9 -34.61 78.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.841 HG23 ' O ' ' A' ' 49' ' ' LEU . 4.9 t -54.88 -46.14 75.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.492 ' HB ' ' CE ' ' A' ' 70' ' ' MET . 27.1 p -66.52 -39.88 88.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.673 ' O ' HG23 ' A' ' 59' ' ' VAL . 2.0 t30 -65.19 -40.23 93.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.701 HD21 ' CD1' ' A' ' 43' ' ' LEU . 12.2 tp -69.84 -52.11 27.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.445 ' HG2' ' CE2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -56.84 -44.51 82.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 111.005 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' A' ' 61' ' ' LEU . 50.7 ttt85 -56.4 -36.63 69.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.152 . . . . 0.0 110.304 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 55' ' ' ASN . 94.2 t -75.49 -34.88 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.467 ' HB ' HD23 ' A' ' 61' ' ' LEU . 7.8 mt -73.43 -44.17 54.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.665 HD22 ' CE1' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -122.58 136.31 54.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.432 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -50.0 -176.15 0.02 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -19.88 17.56 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.457 1.767 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.963 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.01 -60.22 2.98 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.963 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.98 -0.25 9.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.557 ' CZ ' ' SD ' ' A' ' 70' ' ' MET . 3.1 t80 -77.5 -42.82 34.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.83 -29.66 70.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.759 ' HB3' HG22 ' A' ' 143' ' ' VAL . 7.8 mp -67.51 -41.39 84.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.727 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 22.9 t90 -68.15 -38.78 82.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.031 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.557 ' SD ' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -60.65 -43.74 97.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -65.63 -43.38 89.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.48 -30.66 67.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.727 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 11.9 t90 -68.14 -40.62 82.38 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.85 -45.7 95.35 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.2 t -68.0 -46.89 80.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 0.744 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.456 ' O ' HG22 ' A' ' 79' ' ' THR . 86.7 mm-40 -56.44 -46.29 80.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.775 ' CD2' HD13 ' A' ' 106' ' ' LEU . 2.7 mt -61.78 -38.67 88.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.527 ' HG3' HD21 ' A' ' 103' ' ' LEU . 25.1 mt-30 -67.85 -29.9 69.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.549 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -65.72 -35.55 81.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.435 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.1 t -71.57 -50.96 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 1.036 HD13 HD12 ' A' ' 103' ' ' LEU . 0.9 OUTLIER -59.41 -49.42 83.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.18 -43.8 97.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 79' ' ' THR . . . -56.66 -47.32 80.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.488 ' HB2' ' CB ' ' A' ' 90' ' ' HIS . . . -65.95 -41.42 91.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.2 m -59.77 -36.67 77.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -74.57 -33.09 62.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 110.261 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.446 ' HB2' ' CD ' ' A' ' 89' ' ' ARG . 0.6 OUTLIER -135.01 114.93 11.9 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 55.49 3.92 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.787 . . . . 0.0 111.023 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.446 ' CD ' ' HB2' ' A' ' 87' ' ' ASP . 10.7 ptt85 -138.49 16.15 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.241 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.488 ' CB ' ' HB2' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -92.07 139.67 24.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.579 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -19.64 17.72 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.464 1.771 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.467 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -59.37 -26.83 65.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 90' ' ' HIS . 29.6 p30 -90.86 154.64 19.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 93' ' ' ASN . . . -58.17 -154.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -141.19 12.64 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 110.332 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.428 ' C ' ' OE1' ' A' ' 99' ' ' GLU . . . -79.91 -159.96 19.74 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.419 ' HB2' ' NH1' ' A' ' 97' ' ' ARG . 6.0 ttm105 -96.47 0.28 50.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 0.801 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -172.99 66.3 0.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 100' ' ' ARG . 2.7 pm0 -82.87 -87.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 99' ' ' GLU . 2.4 tpp85 83.64 109.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.705 HG23 HG13 ' A' ' 81' ' ' ILE . 1.8 t -72.61 170.14 15.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.396 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -157.31 154.43 29.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 1.036 HD12 HD13 ' A' ' 81' ' ' ILE . 2.4 mp -63.66 -34.42 77.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.112 . . . . 0.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.43 -38.79 92.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -61.19 -47.04 87.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.775 HD13 ' CD2' ' A' ' 77' ' ' LEU . 31.5 mt -70.61 -31.72 68.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.94 -65.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.2 -6.44 5.68 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.461 ' HA ' HG22 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -82.92 5.21 22.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.876 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -59.89 163.87 4.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -70.64 133.32 46.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.157 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 79.93 -3.56 69.83 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.931 ' HE1' HD21 ' A' ' 124' ' ' LEU . 90.1 mtp -103.02 -24.72 13.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 0.758 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 110' ' ' ALA . 1.5 t -80.2 124.71 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.45 -1.11 68.92 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -137.18 98.69 10.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.422 0.719 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.401 ' O ' ' HG2' ' A' ' 120' ' ' GLN . 18.6 Cg_endo -74.95 -46.34 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.487 1.783 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -76.99 -28.79 55.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -75.97 -42.8 23.94 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.482 1.113 . . . . 0.0 111.024 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.428 ' HB2' ' CE ' ' A' ' 113' ' ' MET . 18.5 pt20 -66.07 -40.98 91.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 0.72 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.56 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -61.18 -41.01 96.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.23 -14.91 59.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.366 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.436 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -82.4 -35.42 27.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.931 HD21 ' HE1' ' A' ' 113' ' ' MET . 5.0 mt -75.5 -16.89 60.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.59 ' CG ' ' O ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER 81.44 158.16 0.12 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.434 ' N ' ' HD3' ' A' ' 125' ' ' ARG . 18.3 Cg_endo -74.99 107.78 2.57 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 142.76 -37.41 1.53 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.467 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 4.5 mt-10 -65.78 -38.79 89.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.741 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.84 -40.35 94.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.8 t -59.29 -39.67 79.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.68 -39.74 81.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.251 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.442 HD13 ' HB3' ' A' ' 50' ' ' PRO . 28.6 mt -69.07 -38.59 78.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.712 HG23 ' SD ' ' A' ' 44' ' ' MET . 4.5 m -65.52 -48.4 72.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.375 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.76 -45.73 91.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.0 m -64.24 -35.88 82.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.13 85.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.462 ' CD2' ' HG3' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -68.14 -33.03 73.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -71.68 -43.32 66.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.86 -33.04 73.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.665 ' CE1' HD22 ' A' ' 61' ' ' LEU . 6.8 t80 -66.49 -58.52 5.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -53.46 -25.14 15.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.71 -42.16 70.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.759 HG22 ' HB3' ' A' ' 68' ' ' LEU . 3.3 t -67.82 -42.87 86.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -65.55 -47.24 76.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.31 -40.91 65.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.15 179.32 7.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.03 168.34 12.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -114.32 113.5 45.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.67 11.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.792 . . . . 0.0 111.059 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -103.77 126.5 50.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.476 ' O ' ' HB3' ' A' ' 154' ' ' ALA . . . 67.52 105.43 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.467 1.105 . . . . 0.0 111.062 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.553 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.2 Cg_endo -74.96 -45.73 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' TRP . . . . . 0.717 ' CH2' HD11 ' A' ' 180' ' ' LEU . 44.9 p90 -58.12 -24.42 58.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 107.961 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 151' ' ' GLY . . . -63.15 -32.69 74.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.73 -19.88 47.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.633 HG22 ' CE1' ' A' ' 167' ' ' PHE . 8.3 mt -87.02 120.75 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.6 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 3.3 p -130.99 132.04 44.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.383 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.648 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 48.6 tp60 -64.69 130.13 42.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -125.17 162.82 19.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -27.32 10.09 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.794 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 4.3 t -69.79 -27.77 65.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -107.67 135.59 48.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.445 ' CB ' ' HB2' ' A' ' 166' ' ' ASP . 0.1 OUTLIER -57.47 142.65 43.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.933 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.59 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.9 OUTLIER -56.0 -52.15 65.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 1.075 HG23 HG21 ' A' ' 219' ' ' ILE . 0.6 OUTLIER -67.43 -38.22 80.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.445 ' HB2' ' CB ' ' A' ' 163' ' ' SER . 0.7 OUTLIER -60.67 -48.36 82.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.648 ' CZ ' ' N ' ' A' ' 158' ' ' GLN . 60.1 t80 -65.96 -39.88 90.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.534 ' HB1' ' CZ ' ' A' ' 193' ' ' PHE . . . -56.51 -39.11 72.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 165' ' ' VAL . 41.2 m-80 -62.15 -49.84 74.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -58.64 -37.84 76.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.505 HD23 HG23 ' A' ' 175' ' ' VAL . 3.7 tt -70.12 -45.19 67.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.447 HG12 HD13 ' A' ' 189' ' ' ILE . 17.2 mt -60.29 -41.02 85.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -63.12 -36.81 84.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.514 ' CB ' HD11 ' A' ' 156' ' ' ILE . . . -68.9 -52.26 31.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 0.755 HG21 HG13 ' A' ' 189' ' ' ILE . 46.3 t -57.23 -48.06 83.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -53.66 -38.51 64.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -99.84 32.42 7.27 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 15.7 p -119.78 166.14 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 0.788 . . . . 0.0 109.992 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -89.38 83.27 6.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.717 HD11 ' CH2' ' A' ' 153' ' ' TRP . 15.8 mt -128.2 158.88 69.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.535 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.3 Cg_endo -75.02 160.93 39.51 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.547 1.814 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . 0.427 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.4 Cg_endo -74.95 78.05 2.97 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.473 1.775 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 1.0 OUTLIER 164.96 -33.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.535 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -78.65 -10.63 59.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . 0.492 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 30.0 mtm105 -83.19 69.12 9.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.9 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 175.2 -56.98 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' PRO . . . . . 0.9 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.4 Cg_endo -74.96 -26.5 10.93 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 79.6 t -69.62 -37.59 74.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.755 HG13 HG21 ' A' ' 175' ' ' VAL . 7.7 mt -68.1 -47.28 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' ILE . . . . . 0.934 HD11 ' C ' ' A' ' 214' ' ' THR . 74.9 mt -66.3 -35.25 74.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -59.6 -37.63 79.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 17.6 m -64.94 -46.26 82.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 108.305 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 193' ' ' PHE . . . . . 0.534 ' CZ ' ' HB1' ' A' ' 168' ' ' ALA . 11.6 m-30 -54.02 -38.42 65.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 194' ' ' ARG . . . . . 0.621 ' HB3' HG21 ' A' ' 205' ' ' ILE . 9.4 ptt180 -95.83 7.03 47.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -86.19 -40.94 15.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.265 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 196' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 197' ' ' SER . 5.4 mtpp -139.84 -89.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 197' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 196' ' ' LYS . 2.0 m 38.7 -158.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 198' ' ' GLN . . . . . 0.456 ' O ' ' CB ' ' A' ' 202' ' ' GLN . 2.6 mp0 -94.04 171.5 6.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -38.55 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.522 1.801 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -64.4 -50.26 68.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 33.1 mm -68.38 -35.7 71.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 198' ' ' GLN . 0.7 OUTLIER -70.07 -42.87 72.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -62.87 -32.05 73.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.931 HD21 ' HG3' ' A' ' 225' ' ' ARG . 0.4 OUTLIER -70.53 -49.35 49.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.621 HG21 ' HB3' ' A' ' 194' ' ' ARG . 3.5 mt -63.02 -39.07 83.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.98 -33.88 76.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -89.22 2.88 53.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 208' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -68.11 154.78 93.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . 0.457 ' HD2' HD11 ' A' ' 212' ' ' LEU . 18.2 Cg_endo -75.05 151.0 38.77 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.77 15.29 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.24 -8.66 38.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.16 . . . . 0.0 110.417 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 212' ' ' LEU . . . . . 0.758 ' O ' HG23 ' A' ' 213' ' ' THR . 0.2 OUTLIER -139.08 148.74 43.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.758 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.3 p -161.54 46.95 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.378 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 214' ' ' THR . . . . . 0.94 HG23 ' HD2' ' A' ' 215' ' ' PRO . 1.3 m -122.55 150.83 58.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.4 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 215' ' ' PRO . . . . . 0.94 ' HD2' HG23 ' A' ' 214' ' ' THR . 18.0 Cg_endo -74.99 52.65 3.11 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.784 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -150.02 -60.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -75.72 -34.03 60.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 218' ' ' ILE . . . . . 0.597 HD12 HD13 ' A' ' 212' ' ' LEU . 1.2 mp -59.51 -46.62 92.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 219' ' ' ILE . . . . . 1.075 HG21 HG23 ' A' ' 165' ' ' VAL . 2.6 mt -72.34 -43.44 64.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -32.81 69.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.411 ' CZ ' HD23 ' A' ' 204' ' ' LEU . 3.5 t80 -74.43 -50.64 17.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.977 HG12 ' OE1' ' A' ' 226' ' ' GLN . 24.1 t -60.36 -40.93 85.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.672 HD23 ' OE1' ' A' ' 226' ' ' GLN . 31.2 mt -68.45 -43.33 77.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -64.58 -21.93 66.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . 0.931 ' HG3' HD21 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -83.22 -44.94 14.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.341 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . 0.977 ' OE1' HG12 ' A' ' 222' ' ' VAL . 6.3 mt-30 -56.13 -43.34 78.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.566 ' HE2' ' HB3' ' A' ' 229' ' ' ALA . 0.0 OUTLIER -71.45 110.74 6.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 3.1 mp -81.62 -63.48 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 229' ' ' ALA . . . . . 0.566 ' HB3' ' HE2' ' A' ' 227' ' ' LYS . . . -49.44 155.35 1.32 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 110.996 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.6 m95 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.52 HG23 ' HD2' ' A' ' 13' ' ' PRO . 2.6 m -105.39 140.97 21.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.52 ' HD2' HG23 ' A' ' 12' ' ' THR . 18.4 Cg_endo -74.95 145.39 31.57 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.695 HD11 HD11 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -62.34 131.55 49.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.466 ' CD ' HD12 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -84.67 118.31 70.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 20' ' ' THR . 18.4 Cg_endo -75.02 -25.22 12.03 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 62.4 pttt -57.66 -45.96 84.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.466 HD12 ' CD ' ' A' ' 15' ' ' GLU . 16.1 mt -63.16 -47.93 80.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.695 HD11 HD11 ' A' ' 14' ' ' LEU . 10.3 mt -63.57 -36.83 77.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 16' ' ' PRO . 35.5 m -60.21 -37.86 81.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 110.37 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -64.25 -48.57 75.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.436 ' CD2' ' HG3' ' A' ' 39' ' ' GLU . 1.8 mt -66.03 -40.02 90.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.355 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.529 ' HB2' HG12 ' A' ' 60' ' ' ILE . . . -65.72 -33.11 75.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 28' ' ' THR . 0.2 OUTLIER -61.95 -37.74 85.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -67.07 -37.37 83.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.425 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.764 ' CG1' HG23 ' A' ' 36' ' ' THR . 91.5 t -58.01 -46.43 87.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -48.87 79.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 24' ' ' ASP . 64.8 p -65.91 -32.6 74.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.435 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.745 ' CB ' HG21 ' A' ' 35' ' ' ILE . 10.4 mmtt -84.84 -13.36 51.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 89.21 123.95 2.37 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.132 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.481 HD12 HG12 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -67.25 -31.22 71.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.763 . . . . 0.0 109.329 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -93.37 2.16 56.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.73 161.25 25.64 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 35' ' ' ILE . 18.1 Cg_endo -75.01 106.41 2.27 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.745 HG21 ' CB ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER 163.94 -29.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.764 HG23 ' CG1' ' A' ' 26' ' ' VAL . 81.4 m -58.59 -48.77 79.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.375 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -33.22 75.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.27 -52.22 24.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.567 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -61.13 -47.16 87.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 36' ' ' THR . 64.7 t -59.81 -46.75 93.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.596 ' HG3' HD21 ' A' ' 137' ' ' LEU . 33.3 mt-10 -59.74 -24.27 63.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -67.41 -55.78 12.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.796 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -71.7 -43.64 65.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.515 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 29.2 mtt -74.25 -10.82 59.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 44' ' ' MET . 11.6 t -35.75 -41.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.932 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p -101.29 165.16 14.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.0 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 149.62 36.73 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.478 ' H ' HD12 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -148.77 174.04 12.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.72 ' O ' HG23 ' A' ' 53' ' ' VAL . 16.0 mt -80.19 161.56 64.86 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.612 ' O ' HG23 ' A' ' 54' ' ' THR . 18.4 Cg_endo -74.93 -26.36 11.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.52 1.8 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -67.63 -50.28 58.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.604 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -63.65 -32.33 73.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 49' ' ' LEU . 6.9 t -53.95 -46.38 64.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 50' ' ' PRO . 22.9 p -67.03 -37.35 83.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.388 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.402 ' O ' HG23 ' A' ' 59' ' ' VAL . 2.6 t30 -63.84 -44.01 94.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.796 HD21 ' CD1' ' A' ' 43' ' ' LEU . 11.6 tp -69.97 -50.83 37.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.999 ' O ' HD12 ' A' ' 61' ' ' LEU . 19.3 mmt -57.46 -31.04 65.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.045 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.429 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 0.3 OUTLIER -69.23 -36.5 77.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 55' ' ' ASN . 54.0 t -71.19 -41.44 75.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.529 HG12 ' HB2' ' A' ' 23' ' ' ALA . 32.6 mt -76.0 -44.13 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.999 HD12 ' O ' ' A' ' 57' ' ' MET . 0.1 OUTLIER -113.78 128.79 56.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.487 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -60.86 -167.3 0.36 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.432 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.0 -22.62 14.63 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.451 1.764 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.938 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.46 -58.13 3.97 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.938 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.97 5.14 4.14 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.432 ' HB2' ' HA ' ' A' ' 63' ' ' PRO . 1.2 t80 -76.55 -47.68 21.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.3 -29.83 70.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.706 ' HB3' HG22 ' A' ' 143' ' ' VAL . 6.0 mp -69.0 -45.37 70.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.734 ' CZ3' ' CE3' ' A' ' 73' ' ' TRP . 35.1 t90 -71.0 -35.96 72.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 107.995 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -35.05 77.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -71.06 -46.74 61.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.41 -44.92 73.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.734 ' CE3' ' CZ3' ' A' ' 69' ' ' TRP . 19.0 t90 -52.37 -42.58 64.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 108.015 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.18 -41.17 98.09 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.6 t -68.04 -46.88 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -61.81 -37.32 83.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.795 ' CD2' HD13 ' A' ' 106' ' ' LEU . 3.1 mt -70.84 -37.24 73.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.518 ' HA ' HD13 ' A' ' 103' ' ' LEU . 46.5 mt-30 -69.59 -41.22 76.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -33.9 76.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.61 -45.97 93.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.572 HG13 HG23 ' A' ' 101' ' ' THR . 0.4 OUTLIER -69.6 -47.87 68.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.6 -48.81 76.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.49 -47.45 79.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 87' ' ' ASP . . . -59.46 -48.62 80.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 m -58.71 -30.29 67.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.5 ttt85 -75.58 -36.48 60.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 84' ' ' ALA . 7.1 t0 -135.87 120.15 13.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 55.49 3.95 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.27 13.35 3.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.448 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -90.2 137.52 27.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.594 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -75.0 -21.79 15.48 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.529 1.805 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.446 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -62.29 -23.35 66.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 90' ' ' HIS . 16.5 p30 -97.49 154.38 17.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 132.2 112.52 1.41 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -147.67 -57.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 110.313 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -152.57 -124.91 1.08 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.6 ttm-85 -78.61 -0.18 28.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -100.0 -54.46 1.04 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 57.13 46.19 19.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.77 . . . . 0.0 110.29 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.33 123.82 41.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.572 HG23 HG13 ' A' ' 81' ' ' ILE . 6.3 t -70.89 163.57 27.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -144.2 145.83 32.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.545 HD12 HD13 ' A' ' 81' ' ' ILE . 4.8 tp -65.91 -46.7 77.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.478 ' HA ' ' CG ' ' A' ' 107' ' ' LYS . 0.8 OUTLIER -53.94 -40.05 66.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.8 mmt-85 -53.71 -36.01 61.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.165 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.795 HD13 ' CD2' ' A' ' 77' ' ' LEU . 13.6 mt -88.25 -24.6 23.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.478 ' CG ' ' HA ' ' A' ' 104' ' ' ASP . 22.5 mmtp -51.03 -42.68 60.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 115.09 22.48 4.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.9 tp -108.51 7.0 26.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.489 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -57.36 155.33 9.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -55.28 121.84 9.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 116' ' ' ASN . . . 87.25 -18.52 36.42 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.49 ' CG ' ' HG3' ' A' ' 120' ' ' GLN . 1.6 ttt -62.62 -32.95 74.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 0.762 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.86 123.07 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 94.43 3.35 63.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 112' ' ' GLY . 9.2 p-10 176.89 86.96 0.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.484 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.0 -36.46 2.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -55.7 -56.75 16.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.14 -31.73 66.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.936 ' OE1' HD22 ' A' ' 123' ' ' LEU . 0.2 OUTLIER -66.44 -41.6 88.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 0.0 110.296 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.25 86.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.68 -13.05 60.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.936 HD22 ' OE1' ' A' ' 120' ' ' GLN . 0.1 OUTLIER -76.63 -37.46 56.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.841 ' N ' HD23 ' A' ' 123' ' ' LEU . 2.0 pp -112.77 147.9 35.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.433 ' HB2' ' HD2' ' A' ' 126' ' ' PRO . 0.0 OUTLIER -76.15 172.44 9.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.341 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 125' ' ' ARG . 18.2 Cg_endo -75.03 108.79 2.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.79 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -179.66 -54.6 0.08 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.446 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 15.6 mt-10 -65.72 -31.23 72.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.681 ' HA ' HD12 ' A' ' 132' ' ' ILE . 3.5 mt -65.6 -43.3 90.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.62 -39.86 77.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.37 80.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.681 HD12 ' HA ' ' A' ' 129' ' ' LEU . 13.5 mt -69.97 -37.53 72.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.506 HG22 ' HB3' ' A' ' 44' ' ' MET . 1.2 m -66.24 -49.57 66.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.55 -48.39 79.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 68.2 p -64.48 -33.66 76.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 132' ' ' ILE . . . -67.86 -43.62 79.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.596 HD21 ' HG3' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -61.22 -37.94 84.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.91 -33.39 74.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.64 -33.62 75.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.564 ' CE1' HG21 ' A' ' 36' ' ' THR . 1.1 t80 -73.79 -53.5 10.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.474 ' O ' ' HG2' ' A' ' 141' ' ' ARG . 0.0 OUTLIER -56.53 -27.53 57.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.334 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.466 ' N ' ' HD3' ' A' ' 141' ' ' ARG . 5.1 tp10 -74.71 -39.59 61.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.706 HG22 ' HB3' ' A' ' 68' ' ' LEU . 8.9 t -73.21 -43.51 57.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -57.93 -42.94 85.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.79 -22.21 58.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 18.8 tp -107.64 89.72 3.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -135.16 -62.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.02 116.19 61.94 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 57.1 4.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.27 143.76 53.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -76.75 146.87 33.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.553 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.5 Cg_endo -74.98 -39.97 1.05 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' TRP . . . . . 0.732 ' CH2' HD11 ' A' ' 180' ' ' LEU . 38.7 p90 -51.16 -29.3 13.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 108.02 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -60.99 -33.22 72.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 152' ' ' PRO . 0.8 OUTLIER -81.59 -22.16 37.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.916 HG22 ' CE1' ' A' ' 167' ' ' PHE . 21.9 mt -73.15 120.74 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.2 p -130.82 133.57 46.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.35 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.568 ' HB3' ' CD2' ' A' ' 167' ' ' PHE . 0.0 OUTLIER -100.46 130.05 46.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.337 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -95.79 176.96 33.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.416 ' HA ' ' OE1' ' A' ' 198' ' ' GLN . 18.4 Cg_endo -75.0 -17.79 19.24 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 84.1 p -107.75 18.71 21.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -116.81 135.27 53.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.88 131.22 50.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.722 ' CE2' HG23 ' A' ' 219' ' ' ILE . 1.5 t80 -70.2 -43.35 70.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.593 HG22 HG21 ' A' ' 219' ' ' ILE . 2.3 t -67.17 -47.94 80.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -56.31 -47.49 78.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.916 ' CE1' HG22 ' A' ' 156' ' ' ILE . 80.7 t80 -64.99 -33.57 76.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.654 ' O ' HD12 ' A' ' 172' ' ' ILE . . . -63.45 -32.86 74.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -68.7 -48.74 63.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 19.2 mtp85 -61.92 -37.15 83.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.875 HD12 ' CE2' ' A' ' 167' ' ' PHE . 1.0 OUTLIER -70.86 -49.73 42.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.654 HD12 ' O ' ' A' ' 168' ' ' ALA . 17.9 mt -57.76 -42.09 81.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -35.18 79.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.422 ' HB2' HD11 ' A' ' 156' ' ' ILE . . . -68.27 -52.03 38.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 0.641 HG13 HD12 ' A' ' 180' ' ' LEU . 39.1 t -58.33 -42.78 84.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -61.35 -56.12 24.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -59.25 -23.33 57.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.153 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.8 p -74.95 165.95 24.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -103.03 56.52 0.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.732 HD11 ' CH2' ' A' ' 153' ' ' TRP . 14.3 mt -78.89 162.3 65.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.638 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.4 Cg_endo -75.01 164.08 34.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.778 . . . . 0.0 111.057 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.3 Cg_endo -74.99 80.47 2.42 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 111.034 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.7 OUTLIER 159.9 -27.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.034 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.638 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -84.11 -11.71 56.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . 0.617 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 7.9 mtm180 -86.69 70.98 10.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.901 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 167.97 -56.62 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' PRO . . . . . 0.901 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -75.02 -30.62 6.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.503 HG21 ' HB1' ' A' ' 184' ' ' ALA . 79.5 t -64.9 -43.97 96.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.624 HG13 HG21 ' A' ' 175' ' ' VAL . 29.0 mt -63.19 -47.64 91.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' ILE . . . . . 0.726 HD11 ' C ' ' A' ' 214' ' ' THR . 74.9 mt -66.11 -45.77 89.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -58.74 -36.97 75.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 7.2 m -56.78 -48.72 77.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 108.313 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 193' ' ' PHE . . . . . 0.4 ' N ' ' CD1' ' A' ' 193' ' ' PHE . 11.0 m-30 -54.28 -35.71 62.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 194' ' ' ARG . . . . . 0.455 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 0.0 OUTLIER -105.75 20.57 18.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.288 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -102.68 -46.3 4.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.36 63.76 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.163 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 197' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.68 -177.8 4.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.969 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 198' ' ' GLN . . . . . 0.416 ' OE1' ' HA ' ' A' ' 160' ' ' PRO . 2.2 mp0 -52.3 157.82 2.19 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.323 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -35.71 2.97 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -65.55 -47.23 76.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.477 ' O ' HD12 ' A' ' 205' ' ' ILE . 11.6 mm -69.38 -38.87 78.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.05 -45.96 69.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -60.42 -31.11 70.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.894 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.4 OUTLIER -70.3 -47.92 58.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 201' ' ' ILE . 0.7 OUTLIER -63.59 -40.16 88.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -33.99 77.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -91.33 5.08 50.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 208' ' ' ALA . . . . . 0.488 ' HA ' ' CE2' ' A' ' 221' ' ' TYR . . . -61.71 154.92 63.94 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . 0.692 ' HB2' HG22 ' A' ' 211' ' ' THR . 18.2 Cg_endo -75.06 155.17 42.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.53 1.805 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.94 17.31 5.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.05 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . 0.692 HG22 ' HB2' ' A' ' 209' ' ' PRO . 9.2 t -102.59 -6.87 22.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 212' ' ' LEU . . . . . 0.75 ' O ' HG23 ' A' ' 213' ' ' THR . 0.5 OUTLIER -145.49 143.46 30.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.4 p -161.19 45.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.354 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 214' ' ' THR . . . . . 0.726 ' C ' HD11 ' A' ' 190' ' ' ILE . 31.4 p -121.83 157.74 56.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 55.56 4.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.494 1.787 . . . . 0.0 111.005 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -158.79 -56.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.562 1.164 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -74.2 -31.66 62.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 0.0 110.313 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 218' ' ' ILE . . . . . 0.524 HG12 HD13 ' A' ' 190' ' ' ILE . 1.4 mp -63.51 -39.42 85.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 219' ' ' ILE . . . . . 0.722 HG23 ' CE2' ' A' ' 164' ' ' PHE . 6.7 mt -73.41 -49.4 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.65 -42.75 75.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.561 ' CZ ' HD23 ' A' ' 204' ' ' LEU . 2.5 t80 -64.96 -45.21 86.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.503 ' HA ' HD22 ' A' ' 204' ' ' LEU . 3.2 t -60.49 -47.83 91.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.568 HD11 ' CG2' ' A' ' 165' ' ' VAL . 70.7 mt -62.67 -38.03 88.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -63.38 -43.27 98.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . 0.894 ' HB3' HD11 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -69.74 -40.32 76.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -51.97 -53.0 46.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 49.7 tttt -53.57 131.27 38.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 9.8 tt -174.08 140.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.249 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . -146.63 153.51 47.11 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.368 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.453 1.765 . . . . 0.0 111.001 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.1 t90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -132.78 132.09 22.38 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 110.408 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 131.32 14.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.63 99.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.354 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 1.6 tp10 -110.36 132.5 21.48 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 15' ' ' GLU . 18.3 Cg_endo -75.02 -30.8 6.75 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.501 1.79 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -46.51 63.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.6 mt -69.39 -46.82 65.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.574 HG23 ' CD1' ' A' ' 56' ' ' LEU . 37.7 mt -58.14 -36.75 58.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.1 m -67.27 -39.4 86.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -67.26 -49.28 65.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.659 HD23 ' CD ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -66.52 -42.36 87.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.432 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -63.9 -31.83 73.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.849 ' O ' HG23 ' A' ' 28' ' ' THR . 13.0 t70 -61.43 -47.35 86.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 29' ' ' LYS . 1.2 m -61.99 -37.31 84.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.679 HG13 ' CG2' ' A' ' 36' ' ' THR . 2.6 t -58.27 -45.2 89.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -67.42 -48.99 65.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.849 HG23 ' O ' ' A' ' 24' ' ' ASP . 31.1 p -68.23 -19.31 64.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 33' ' ' SER . 18.5 mmtt -95.23 -14.56 23.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.01 131.6 0.27 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.685 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -67.58 -17.72 64.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 0.734 . . . . 0.0 109.328 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.83 2.85 50.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 8.0 t -101.92 145.82 31.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.004 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 54.7 3.7 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.434 HD12 ' HD2' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -141.18 -41.3 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.679 ' CG2' HG13 ' A' ' 26' ' ' VAL . 2.6 m -57.11 -42.55 81.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.77 ' SD ' HD23 ' A' ' 137' ' ' LEU . 0.4 OUTLIER -61.45 -44.36 97.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.75 -43.88 74.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.659 ' CD ' HD23 ' A' ' 22' ' ' LEU . 1.9 mt-10 -59.73 -47.56 85.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 36' ' ' THR . 42.9 t -61.36 -45.92 97.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.764 ' HG3' HD22 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -63.75 -23.94 67.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -64.37 -55.35 21.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.62 HD11 HD21 ' A' ' 56' ' ' LEU . 1.2 pp -72.7 -44.53 61.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.764 ' SD ' HG23 ' A' ' 133' ' ' THR . 0.6 OUTLIER -72.73 -9.08 58.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 111.018 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 41' ' ' GLU . 8.6 t -37.82 -31.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 44' ' ' MET . 1.3 p -102.12 165.24 14.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.047 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 140.2 25.04 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.876 HD13 HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -138.62 174.54 10.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.755 ' O ' HG23 ' A' ' 53' ' ' VAL . 11.6 mt -83.42 161.18 57.61 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.659 ' O ' HG23 ' A' ' 54' ' ' THR . 18.3 Cg_endo -75.01 -31.18 6.4 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -66.67 -52.09 48.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.605 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.468 ' OD2' ' N ' ' A' ' 49' ' ' LEU . 1.6 p30 -63.99 -31.75 73.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.876 HG23 HD13 ' A' ' 48' ' ' LEU . 2.3 t -53.58 -46.75 60.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.659 HG23 ' O ' ' A' ' 50' ' ' PRO . 24.8 p -66.91 -41.12 87.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -58.54 -44.03 89.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.62 HD21 HD11 ' A' ' 43' ' ' LEU . 13.1 tp -68.4 -48.28 65.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.998 ' O ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -58.32 -30.57 66.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' A' ' 61' ' ' LEU . 7.3 ttt180 -69.94 -36.16 75.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.62 -39.31 75.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.451 ' CG2' HG11 ' A' ' 26' ' ' VAL . 12.9 mt -79.11 -44.09 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.998 HD12 ' O ' ' A' ' 57' ' ' MET . 0.1 OUTLIER -117.35 136.22 53.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.609 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -67.32 -169.59 4.23 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.5 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.1 Cg_endo -75.03 -19.2 18.0 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.863 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -68.96 -55.99 9.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.863 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.07 -20.04 17.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.509 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 0.6 OUTLIER -53.0 -43.82 66.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 111.043 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.27 -35.39 80.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.704 ' HB3' HG22 ' A' ' 143' ' ' VAL . 7.0 mp -69.73 -42.89 73.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.645 ' CH2' ' CE3' ' A' ' 73' ' ' TRP . 27.2 t90 -71.29 -38.71 71.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 108.013 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.0 mmt -66.72 -35.55 80.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -71.15 -45.45 63.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.78 -34.92 74.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.645 ' CE3' ' CH2' ' A' ' 69' ' ' TRP . 18.2 t90 -66.3 -41.22 90.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.022 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.2 -49.43 75.8 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 37.7 t -68.48 -45.87 81.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 109.272 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -54.58 -46.12 73.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.772 ' CD2' HD13 ' A' ' 106' ' ' LEU . 0.8 OUTLIER -55.87 -45.1 78.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -61.86 -37.82 85.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.19 -35.61 73.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.3 t -69.13 -34.57 64.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.556 HG13 HD13 ' A' ' 103' ' ' LEU . 17.5 mm -66.01 -48.26 82.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.93 -36.31 75.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.34 -38.84 91.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.699 ' HB1' ' OD1' ' A' ' 93' ' ' ASN . . . -62.43 -50.4 71.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.14 -29.12 68.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -75.26 -38.86 60.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -114.18 111.03 47.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 55.03 3.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.89 32.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.535 ' CD2' ' HA ' ' A' ' 84' ' ' ALA . 0.3 OUTLIER -83.51 138.18 41.5 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 109.604 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.431 ' HD2' ' ND1' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -75.03 -21.91 15.3 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.789 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.11 -10.82 59.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.699 ' OD1' ' HB1' ' A' ' 84' ' ' ALA . 87.5 m-20 -81.05 154.26 26.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 160.93 104.08 0.19 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -145.25 -62.61 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 0.0 110.269 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.75 -121.1 0.58 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.61 -0.1 22.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -111.3 -51.06 0.6 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 65.83 65.87 0.52 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.2 123.03 39.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.435 HG23 HD12 ' A' ' 81' ' ' ILE . 4.2 t -71.07 169.9 14.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.44 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -142.05 140.59 32.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.556 HD13 HG13 ' A' ' 81' ' ' ILE . 5.7 tp -59.23 -29.87 67.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -63.1 -40.35 97.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.947 ' O ' ' HE1' ' A' ' 113' ' ' MET . 4.6 mtt180 -64.14 -46.92 81.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.772 HD13 ' CD2' ' A' ' 77' ' ' LEU . 95.9 mt -69.43 -15.63 63.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.28 -59.93 2.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.235 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.808 ' O ' HG13 ' A' ' 114' ' ' VAL . . . 108.57 30.02 3.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.109 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 109' ' ' LEU . 6.4 tp -107.24 -7.53 16.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.79 162.67 3.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.403 ' O ' HD11 ' A' ' 123' ' ' LEU . 2.1 p-10 -71.61 125.34 26.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.1 -2.38 65.85 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 1.018 ' SD ' HD21 ' A' ' 124' ' ' LEU . 0.2 OUTLIER -98.94 -34.41 10.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 0.742 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.808 HG13 ' O ' ' A' ' 108' ' ' GLY . 0.0 OUTLIER -97.93 132.45 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.84 2.73 66.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.12 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -151.96 116.84 3.05 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -74.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -36.24 64.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.66 -39.29 97.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.494 ' OE1' HD13 ' A' ' 49' ' ' LEU . 1.6 tt0 -66.28 -44.37 83.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.57 89.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.88 -16.98 62.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.452 HD23 ' C ' ' A' ' 123' ' ' LEU . 8.9 tt -79.08 -41.53 28.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 1.018 HD21 ' SD ' ' A' ' 113' ' ' MET . 0.1 OUTLIER -91.47 129.74 37.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.445 ' NH1' ' HB2' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -57.5 158.13 11.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 107.98 2.61 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 166.55 -54.77 0.24 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.12 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.5 ' HB2' HD21 ' A' ' 106' ' ' LEU . 2.3 pm0 -57.23 -29.32 63.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.446 ' N ' ' HG2' ' A' ' 128' ' ' GLU . 18.5 mt -57.08 -45.06 83.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 42.2 t -66.47 -39.96 85.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.56 -40.05 81.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 129' ' ' LEU . 21.0 mt -68.83 -38.64 78.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.764 HG23 ' SD ' ' A' ' 44' ' ' MET . 8.8 m -65.41 -49.41 69.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.24 89.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.373 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.41 -36.08 73.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.026 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.59 98.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.77 HD23 ' SD ' ' A' ' 37' ' ' MET . 0.4 OUTLIER -69.92 -33.17 71.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -64.16 -43.12 96.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.55 -33.55 74.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -63.82 -58.72 5.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -54.22 -26.7 29.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -68.75 -43.08 76.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.704 HG22 ' HB3' ' A' ' 68' ' ' LEU . 24.6 t -63.16 -42.76 97.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.25 -22.67 60.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 146' ' ' LEU . 0.1 OUTLIER -62.66 -43.62 98.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 145' ' ' ARG . 4.6 mm? -39.38 105.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . 64.71 78.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -117.31 102.9 52.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 133.93 17.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.479 1.778 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -104.01 151.89 22.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.436 ' HA3' ' HB3' ' A' ' 154' ' ' ALA . . . 130.21 101.97 0.96 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.146 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.48 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo -75.06 -47.07 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.441 1.758 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' TRP . . . . . 0.6 ' CH2' HD21 ' A' ' 180' ' ' LEU . 26.7 p90 -101.11 -26.44 13.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 108.008 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.436 ' HB3' ' HA3' ' A' ' 151' ' ' GLY . . . -57.0 -32.92 66.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.83 -22.1 43.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.81 HG22 ' CE1' ' A' ' 167' ' ' PHE . 52.4 mt -77.5 120.89 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.147 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.601 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 42.0 p -131.32 134.19 46.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.351 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.563 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 8.7 tm0? -68.76 124.14 22.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -115.52 160.17 13.42 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -23.65 13.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 89.7 p -73.92 -30.73 62.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 110.006 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -104.22 136.19 44.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 11.1 t -56.76 140.5 47.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.746 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.5 OUTLIER -55.67 -52.42 63.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.992 HG23 HG21 ' A' ' 219' ' ' ILE . 1.0 OUTLIER -60.01 -43.33 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -57.06 -43.99 82.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.81 ' CE1' HG22 ' A' ' 156' ' ' ILE . 56.5 t80 -67.81 -40.77 83.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -58.21 -36.5 73.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -64.86 -49.23 71.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -59.06 -37.42 77.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.656 HD11 ' HB3' ' A' ' 192' ' ' CYS . 0.7 OUTLIER -69.98 -50.57 40.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.532 HG12 HD13 ' A' ' 189' ' ' ILE . 59.5 mt -57.75 -35.49 51.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -37.53 77.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.86 -40.55 79.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 0.704 HG13 HD12 ' A' ' 180' ' ' LEU . 25.4 t -69.89 -41.13 79.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.78 -35.59 81.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -93.54 23.66 29.29 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 60.4 p -124.79 166.12 16.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.775 . . . . 0.0 109.942 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.34 91.32 5.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.704 HD12 HG13 ' A' ' 175' ' ' VAL . 19.6 mt -117.81 158.13 46.42 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.4 16.44 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.4 Cg_endo -74.94 136.02 19.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 1.7 t 85.16 -9.03 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -87.9 -18.97 28.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . 0.518 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 64.1 mtm180 -86.43 75.34 9.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.901 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 174.76 -56.92 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' PRO . . . . . 0.901 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -74.99 -28.41 9.2 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 43.0 t -66.82 -43.0 89.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.557 HG13 HG21 ' A' ' 175' ' ' VAL . 11.9 mt -67.82 -48.36 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' ILE . . . . . 0.766 HG23 HG21 ' A' ' 218' ' ' ILE . 29.1 mt -65.66 -39.49 85.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 187' ' ' PRO . 17.0 t70 -63.96 -36.39 83.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 192' ' ' CYS . . . . . 0.656 ' HB3' HD11 ' A' ' 171' ' ' LEU . 20.2 m -56.8 -42.79 80.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 108.328 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 193' ' ' PHE . . . . . 0.44 ' CD2' ' HA ' ' A' ' 190' ' ' ILE . 17.7 m-30 -61.15 -50.48 73.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 194' ' ' ARG . . . . . 0.52 ' HB3' HG21 ' A' ' 205' ' ' ILE . 2.5 ptt180 -84.8 14.89 4.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.45 -33.11 10.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -168.87 75.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 197' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 198' ' ' GLN . 51.8 p -141.06 165.93 26.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.993 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 198' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 197' ' ' SER . 2.8 mp0 -43.14 166.35 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -38.89 1.38 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.507 1.793 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -65.42 -50.2 66.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.401 ' HA ' HD13 ' A' ' 201' ' ' ILE . 11.7 mm -61.76 -45.42 98.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.231 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -65.63 -46.02 80.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -60.64 -34.25 74.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.876 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.6 OUTLIER -64.3 -49.85 70.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.52 HG21 ' HB3' ' A' ' 194' ' ' ARG . 0.3 OUTLIER -63.93 -39.93 87.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -38.72 92.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -83.84 -11.91 56.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 208' ' ' ALA . . . . . 0.686 ' HB2' ' CE2' ' A' ' 221' ' ' TYR . . . -63.75 161.1 39.68 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . 0.5 ' HD2' HD12 ' A' ' 212' ' ' LEU . 18.3 Cg_endo -74.94 155.73 43.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.66 9.26 9.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 46.8 m -92.6 -9.2 41.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 212' ' ' LEU . . . . . 0.818 ' O ' HG23 ' A' ' 213' ' ' THR . 2.7 mt -105.02 132.26 51.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.818 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.0 OUTLIER -163.33 38.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.442 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 214' ' ' THR . . . . . 0.602 ' C ' HD11 ' A' ' 190' ' ' ILE . 13.3 p -133.82 153.01 79.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.401 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 55.39 3.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 216' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 220' ' ' LYS . . . -164.87 -50.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.536 1.148 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . 0.535 ' CD ' ' HG1' ' A' ' 214' ' ' THR . 2.7 mt-10 -71.72 -33.32 68.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.77 . . . . 0.0 110.252 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 218' ' ' ILE . . . . . 0.766 HG21 HG23 ' A' ' 190' ' ' ILE . 33.7 mm -65.05 -50.48 74.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 219' ' ' ILE . . . . . 0.992 HG21 HG23 ' A' ' 165' ' ' VAL . 3.0 mt -72.01 -41.42 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 220' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 216' ' ' GLY . 0.2 OUTLIER -59.24 -38.17 79.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.245 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.732 ' CE2' HD23 ' A' ' 204' ' ' LEU . 15.7 t80 -73.87 -45.11 52.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.513 HG11 ' CE2' ' A' ' 164' ' ' PHE . 2.4 t -60.14 -43.65 93.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.65 -39.7 91.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -63.73 -34.26 77.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . 0.876 ' HB3' HD11 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -79.19 -39.74 32.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -51.58 -51.06 58.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.6 130.65 38.15 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 5.6 mt -131.93 130.58 61.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . -134.81 154.53 79.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.362 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.447 ' N ' ' OE1' ' A' ' 118' ' ' GLN . 2.7 p-90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.2 p -102.84 142.74 25.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.404 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 124.89 8.95 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.979 HD11 HD11 ' A' ' 19' ' ' ILE . 18.8 tp -116.25 154.83 29.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.418 ' H ' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -105.55 105.18 51.66 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.01 -25.54 11.75 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.449 1.762 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -65.67 -45.81 81.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.455 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 29.2 mt -69.86 -37.43 76.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.979 HD11 HD11 ' A' ' 14' ' ' LEU . 73.7 mt -71.07 -41.22 76.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 16' ' ' PRO . 52.2 m -68.93 -52.23 31.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.482 ' CG ' ' N ' ' A' ' 22' ' ' LEU . 9.3 ptm180 -57.26 -41.83 80.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 22' ' ' LEU . 2.5 tm? -66.31 -38.6 88.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.49 -31.34 70.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.6 ' O ' HG23 ' A' ' 28' ' ' THR . 22.7 t70 -60.99 -42.38 98.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.52 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 2.6 m -66.89 -37.63 84.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.775 HG22 ' HA ' ' A' ' 36' ' ' THR . 2.1 t -63.27 -43.6 98.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -65.71 -49.15 69.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.6 HG23 ' O ' ' A' ' 24' ' ' ASP . 41.0 p -65.35 -33.47 76.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.372 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.64 ' CB ' HG21 ' A' ' 35' ' ' ILE . 14.2 mmtt -81.36 -12.38 59.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.89 121.61 4.89 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.652 HD21 ' HZ ' ' A' ' 140' ' ' PHE . 1.1 tm? -66.12 -32.58 74.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -89.13 2.6 53.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.29 164.64 40.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.046 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -35.63 2.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.521 1.801 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.64 HG21 ' CB ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -50.31 -23.92 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.775 ' HA ' HG22 ' A' ' 26' ' ' VAL . 52.9 m -58.88 -49.72 76.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 38.6 mmt -64.7 -33.09 75.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.35 -52.33 28.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.624 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -60.09 -47.66 84.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 36' ' ' THR . 57.3 t -58.8 -49.41 82.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.634 ' HG3' HD22 ' A' ' 137' ' ' LEU . 20.4 mt-10 -60.36 -23.1 64.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -64.57 -55.02 23.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.584 HD11 HD21 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -72.88 -40.56 65.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.592 ' HB3' HG22 ' A' ' 133' ' ' THR . 16.1 mtt -76.11 -9.62 58.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 41' ' ' GLU . 5.3 m -33.79 -49.5 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.967 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 p -88.7 161.99 40.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.79 37.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.85 HD13 HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -146.51 -172.37 3.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.57 HD21 ' CB ' ' A' ' 121' ' ' ALA . 0.9 OUTLIER -92.4 164.95 20.82 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -25.97 11.29 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.485 1.782 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.465 ' O ' ' OG1' ' A' ' 54' ' ' THR . 14.7 m170 -67.6 -51.36 51.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 109.614 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.64 ' OD1' HD22 ' A' ' 48' ' ' LEU . 3.3 p30 -65.54 -30.72 71.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.85 HG23 HD13 ' A' ' 48' ' ' LEU . 2.2 t -56.41 -48.31 80.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.592 HG22 ' CH2' ' A' ' 69' ' ' TRP . 38.0 p -65.32 -49.79 68.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 110.401 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.468 ' ND2' ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -56.97 -41.83 79.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.584 HD21 HD11 ' A' ' 43' ' ' LEU . 5.7 tp -65.77 -52.64 49.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.554 ' HG2' ' CD1' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -57.1 -29.42 63.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 61' ' ' LEU . 14.0 ttt-85 -67.92 -36.24 79.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.6 t -74.93 -48.51 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.478 HG13 HD12 ' A' ' 56' ' ' LEU . 2.1 mt -70.12 -44.28 78.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 66' ' ' TYR . 1.5 tm? -107.34 128.5 54.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.426 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -42.63 161.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -25.06 12.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.506 1.793 . . . . 0.0 110.959 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.963 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.46 -59.24 3.27 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.963 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.03 -4.7 15.79 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.708 ' HA ' HD12 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -67.7 -41.38 83.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.058 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.78 -30.07 68.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.569 HD12 ' N ' ' A' ' 68' ' ' LEU . 3.9 mp -71.86 -38.99 69.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.592 ' CH2' HG22 ' A' ' 54' ' ' THR . 3.0 t90 -65.56 -37.74 87.56 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 45.0 tpp -59.29 -42.21 90.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -71.1 -46.44 61.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.24 72.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.524 ' HA ' ' HB2' ' A' ' 139' ' ' ALA . 19.5 t90 -63.9 -41.36 97.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 108.003 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.9 -46.62 93.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 15.2 t -66.19 -39.92 85.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -59.06 -45.62 90.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.632 ' CD2' HD13 ' A' ' 106' ' ' LEU . 3.8 mt -56.02 -46.31 78.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.751 ' HA ' HD13 ' A' ' 103' ' ' LEU . 64.3 mt-30 -63.2 -31.43 72.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -35.04 77.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.405 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.746 HG22 ' HE1' ' A' ' 90' ' ' HIS . 2.6 t -66.96 -34.87 72.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.645 HG13 HG23 ' A' ' 101' ' ' THR . 0.8 OUTLIER -78.01 -50.27 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.18 -37.25 76.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.53 ' HB3' ' NE2' ' A' ' 90' ' ' HIS . . . -65.4 -49.16 70.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.495 ' HB2' ' CB ' ' A' ' 90' ' ' HIS . . . -60.14 -48.47 81.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 m -60.42 -37.01 79.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.1 ttt-85 -75.09 -43.27 54.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -136.14 123.56 14.64 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 54.81 3.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.442 1.759 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -127.51 12.01 6.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.746 ' HE1' HG22 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -87.52 140.87 31.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.582 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -26.6 10.75 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.524 1.802 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.06 -12.47 60.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.49 150.76 22.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.04 -86.9 0.08 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.416 1.072 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -151.64 37.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.66 -119.44 5.98 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.465 1.103 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -4.2 27.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.55 -32.81 67.53 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -150.04 -61.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.77 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 72.02 123.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.645 HG23 HG13 ' A' ' 81' ' ' ILE . 5.1 t -77.08 170.01 17.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.443 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.18 148.84 26.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.751 HD13 ' HA ' ' A' ' 78' ' ' GLN . 6.9 tp -61.24 -30.34 70.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -64.75 -41.79 95.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -64.78 -45.43 86.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.669 HD21 ' HB2' ' A' ' 128' ' ' GLU . 10.3 mt -72.97 -15.96 61.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.407 ' CD ' ' O ' ' A' ' 103' ' ' LEU . 1.9 mptp? -70.88 -51.3 27.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.993 ' O ' HG13 ' A' ' 114' ' ' VAL . . . 116.6 10.48 10.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.146 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.4 tp -76.68 -3.02 35.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 0.758 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.57 ' HB3' ' CG ' ' A' ' 113' ' ' MET . . . -58.83 158.29 8.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.07 122.09 17.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 85.01 -11.11 61.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.899 ' SD ' HD21 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -78.87 -31.08 45.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 0.715 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.993 HG13 ' O ' ' A' ' 108' ' ' GLY . 0.0 OUTLIER -98.24 136.41 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.48 3.16 64.98 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -156.24 103.49 2.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -44.05 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.447 ' OE1' ' N ' ' A' ' 11' ' ' TRP . 20.7 mp0 -76.94 -34.05 57.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -71.18 -43.21 56.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.51 ' CB ' ' HA ' ' A' ' 113' ' ' MET . 7.9 pt20 -67.02 -43.58 82.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 0.791 . . . . 0.0 110.31 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.57 ' CB ' HD21 ' A' ' 49' ' ' LEU . . . -58.09 -30.9 66.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.12 -30.15 55.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.801 HD23 ' C ' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -84.38 -14.97 48.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.899 HD21 ' SD ' ' A' ' 113' ' ' MET . 40.6 mt -91.68 102.08 14.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.503 ' CD ' ' OE1' ' A' ' 128' ' ' GLU . 0.1 OUTLIER -46.96 159.37 0.38 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 107.76 2.56 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.484 1.781 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.87 -53.83 0.27 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.553 1.158 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.669 ' HB2' HD21 ' A' ' 106' ' ' LEU . 7.5 pm0 -66.66 -31.78 72.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 110.31 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.423 ' N ' ' HG2' ' A' ' 128' ' ' GLU . 27.8 mt -59.17 -40.18 84.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 44.4 t -67.88 -39.14 81.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.89 -39.38 71.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 43.8 mt -66.9 -39.97 84.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.592 HG22 ' HB3' ' A' ' 44' ' ' MET . 1.3 m -65.4 -49.77 68.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.76 -43.9 97.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 6.3 t -63.11 -38.21 90.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.003 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.32 -39.92 94.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.634 HD22 ' HG3' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -66.42 -39.9 89.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.63 -37.6 87.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.524 ' HB2' ' HA ' ' A' ' 73' ' ' TRP . . . -67.8 -33.23 74.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.652 ' HZ ' HD21 ' A' ' 31' ' ' LEU . 19.8 t80 -62.81 -62.11 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -53.02 -24.92 10.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -67.55 -39.0 84.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.432 HG21 ' N ' ' A' ' 69' ' ' TRP . 23.7 t -76.46 -43.08 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.5 -49.97 75.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -70.03 -43.96 70.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.3 tt 59.89 154.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -151.89 178.23 9.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -115.48 148.11 40.22 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.163 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.61 5.16 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.52 1.8 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -103.71 151.36 23.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.424 ' O ' ' HB3' ' A' ' 154' ' ' ALA . . . -67.24 153.02 52.91 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.117 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.564 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.2 Cg_endo -75.06 -44.81 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' TRP . . . . . 0.66 ' HA ' HD12 ' A' ' 156' ' ' ILE . 37.1 p90 -52.69 -27.46 17.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 108.02 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 151' ' ' GLY . . . -63.49 -32.58 74.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -79.57 -18.52 51.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.88 HG22 ' CE1' ' A' ' 167' ' ' PHE . 9.7 mt -85.24 120.72 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.613 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 39.6 m -125.92 138.67 53.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.567 ' HB2' ' CD2' ' A' ' 167' ' ' PHE . 6.7 tm0? -75.73 129.98 37.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -109.11 158.31 14.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -19.0 18.16 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.22 -31.45 33.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.587 1.179 . . . . 0.0 109.948 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.57 135.26 40.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.45 ' OG ' HG12 ' A' ' 165' ' ' VAL . 0.7 OUTLIER -57.66 142.13 46.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.548 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.8 OUTLIER -55.94 -49.43 73.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.897 HG23 HG21 ' A' ' 219' ' ' ILE . 0.8 OUTLIER -62.4 -36.24 73.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.1 -48.58 79.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.88 ' CE1' HG22 ' A' ' 156' ' ' ILE . 84.9 t80 -67.3 -32.99 74.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.473 ' O ' HD12 ' A' ' 172' ' ' ILE . . . -62.36 -34.24 76.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 165' ' ' VAL . 34.6 m-80 -68.31 -50.62 52.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 1.3 mtp-105 -60.33 -37.28 80.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.271 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.805 HD12 ' CE2' ' A' ' 167' ' ' PHE . 1.2 tt -70.85 -51.34 27.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' ' 168' ' ' ALA . 34.8 mt -57.27 -34.62 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.37 -37.53 77.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.498 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -69.06 -46.58 67.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 0.765 HG21 HG13 ' A' ' 189' ' ' ILE . 25.2 t -61.6 -45.5 98.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.03 -43.11 63.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -94.45 28.24 11.6 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.48 166.23 11.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 0.799 . . . . 0.0 109.993 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -94.43 86.35 4.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.553 HD11 ' CH2' ' A' ' 153' ' ' TRP . 21.5 mt -128.06 158.68 70.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.497 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.2 Cg_endo -74.98 161.9 38.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.792 . . . . 0.0 110.958 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . 0.516 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.2 Cg_endo -75.06 83.08 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.9 OUTLIER 158.81 -35.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.004 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.497 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -82.37 -9.9 59.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . 0.565 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 9.0 mtm180 -84.71 70.69 10.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.862 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 171.31 -55.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' PRO . . . . . 0.862 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.3 Cg_endo -74.99 -26.58 10.81 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.449 1.763 . . . . 0.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 7.8 t -66.66 -36.01 76.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.765 HG13 HG21 ' A' ' 175' ' ' VAL . 5.4 mt -68.8 -45.47 80.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' ILE . . . . . 0.86 HD11 ' C ' ' A' ' 214' ' ' THR . 66.3 mt -60.83 -35.83 67.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 195' ' ' GLN . 6.9 t70 -58.21 -48.09 81.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 11.5 m -53.15 -49.14 67.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.315 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 193' ' ' PHE . . . . . 0.7 ' CZ ' ' CG2' ' A' ' 189' ' ' ILE . 8.5 m-30 -54.75 -24.85 24.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 194' ' ' ARG . . . . . 0.501 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 10.8 ptt180 -124.48 29.91 6.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 191' ' ' ASP . 2.3 tm0? -114.43 -56.1 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 196' ' ' LYS . . . . . 0.452 ' HG2' HG23 ' A' ' 157' ' ' THR . 5.2 tttp -118.06 -39.14 3.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 197' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 198' ' ' GLN . 1.1 m -38.8 158.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.031 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 198' ' ' GLN . . . . . 0.41 ' O ' ' O ' ' A' ' 197' ' ' SER . 2.8 mp0 -42.89 166.34 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 199' ' ' PRO . . . . . 0.424 ' HA ' ' HG2' ' A' ' 202' ' ' GLN . 18.3 Cg_endo -75.05 -33.07 4.81 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.37 -34.79 78.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 17.7 mm -78.18 -45.68 26.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' GLN . . . . . 0.424 ' HG2' ' HA ' ' A' ' 199' ' ' PRO . 5.1 pt20 -65.68 -40.39 92.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 38.5 tp60 -62.93 -37.71 88.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.801 HD21 ' CG ' ' A' ' 225' ' ' ARG . 0.3 OUTLIER -66.19 -49.1 68.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.541 ' O ' ' HB3' ' A' ' 208' ' ' ALA . 0.5 OUTLIER -62.6 -40.01 86.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -64.0 -36.86 85.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.255 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -86.82 4.0 42.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 208' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -67.76 158.45 83.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . 0.482 ' HG2' HD21 ' A' ' 212' ' ' LEU . 18.2 Cg_endo -75.02 155.09 42.83 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.537 1.809 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.26 1.46 44.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 97.2 m -84.97 -2.48 57.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 110.386 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 212' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 213' ' ' THR . 0.0 OUTLIER -145.57 138.13 25.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.351 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.0 OUTLIER -155.5 43.0 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.411 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 214' ' ' THR . . . . . 0.86 ' C ' HD11 ' A' ' 190' ' ' ILE . 0.4 OUTLIER -134.42 158.91 74.12 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.393 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 215' ' ' PRO . . . . . 0.581 ' HD3' ' CA ' ' A' ' 186' ' ' ALA . 18.4 Cg_endo -75.0 55.18 3.87 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.806 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -148.67 -62.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.71 -32.54 60.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.784 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 218' ' ' ILE . . . . . 0.609 HG12 HD13 ' A' ' 190' ' ' ILE . 1.4 mp -62.87 -51.21 74.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.359 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 219' ' ' ILE . . . . . 0.897 HG21 HG23 ' A' ' 165' ' ' VAL . 4.0 mt -62.26 -50.12 81.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -56.68 -33.74 66.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -74.21 -47.31 36.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.421 HG22 ' HB3' ' A' ' 204' ' ' LEU . 3.8 t -60.47 -49.78 82.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.478 HD11 ' CG2' ' A' ' 165' ' ' VAL . 54.9 mt -57.24 -40.74 78.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.78 -32.88 74.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . 0.801 ' CG ' HD21 ' A' ' 204' ' ' LEU . 3.1 tpt180 -74.32 -34.53 63.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -59.2 -56.16 25.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.325 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 58.45 167.76 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 2.0 tt -82.85 -5.37 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . -159.75 155.35 22.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 49.6 t90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.43 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 15.1 t -132.49 142.57 45.38 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 12' ' ' THR . 18.2 Cg_endo -74.99 125.5 9.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 0.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.913 HD13 HD12 ' A' ' 19' ' ' ILE . 2.4 pp -113.86 155.19 26.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.416 ' CG ' HD12 ' A' ' 18' ' ' LEU . 2.4 pm0 -113.99 149.32 41.72 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.427 ' O ' ' CB ' ' A' ' 20' ' ' THR . 18.3 Cg_endo -75.08 -29.52 8.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.79 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -63.4 -50.92 67.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.433 ' N ' ' CG ' ' A' ' 17' ' ' LYS . 82.4 mt -69.75 -45.79 67.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.913 HD12 HD13 ' A' ' 14' ' ' LEU . 9.6 mt -59.26 -37.43 68.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.427 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 1.4 m -62.08 -38.43 88.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.381 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.53 -48.38 75.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.331 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.541 HD23 ' CD ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -66.53 -39.11 88.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.463 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -65.32 -34.65 78.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.776 ' O ' HG23 ' A' ' 28' ' ' THR . 0.3 OUTLIER -62.21 -47.94 82.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.519 HG22 ' OE1' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -59.62 -37.89 79.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.385 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.727 HG13 HG23 ' A' ' 36' ' ' THR . 9.1 t -59.63 -44.11 92.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.14 -48.65 72.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.776 HG23 ' O ' ' A' ' 24' ' ' ASP . 19.7 p -71.92 -15.65 62.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.581 ' CG ' HG21 ' A' ' 35' ' ' ILE . 23.0 mmtm -94.87 -14.74 24.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.88 127.46 3.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.681 ' CD1' HD23 ' A' ' 61' ' ' LEU . 1.1 mt -67.74 -19.05 65.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 0.769 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.2 ptt-85 -95.21 2.04 54.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 12.7 m -89.85 160.38 41.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.022 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -24.4 12.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.798 . . . . 0.0 110.999 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.581 HG21 ' CG ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -62.48 -31.27 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.727 HG23 HG13 ' A' ' 26' ' ' VAL . 3.3 m -66.5 -49.05 67.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.38 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 20.5 mmt -64.72 -38.03 89.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.26 -52.24 29.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.541 ' CD ' HD23 ' A' ' 22' ' ' LEU . 8.3 mt-10 -60.02 -47.29 86.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 36' ' ' THR . 53.0 t -61.3 -39.47 82.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.503 ' HG3' HD21 ' A' ' 137' ' ' LEU . 31.0 mt-10 -69.16 -24.66 64.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.342 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -66.49 -54.75 20.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.497 HD12 ' HG3' ' A' ' 44' ' ' MET . 0.9 OUTLIER -69.0 -48.05 64.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.527 ' HB3' HG22 ' A' ' 133' ' ' THR . 22.1 mtt -71.94 -10.79 60.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' GLU . 57.7 p -35.96 -37.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.19 165.14 14.11 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.66 12.54 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.518 1.799 . . . . 0.0 110.945 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.588 HD13 ' CG2' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -123.34 -174.3 2.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.939 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -88.7 162.6 38.36 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HB3' HD13 ' A' ' 132' ' ' ILE . 18.3 Cg_endo -75.0 -33.91 4.22 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.403 ' O ' ' OG1' ' A' ' 54' ' ' THR . 9.8 t-80 -68.11 -44.6 75.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.55 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 18.8 m-20 -64.27 -32.44 74.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.939 HG23 ' O ' ' A' ' 49' ' ' LEU . 38.3 t -56.43 -47.29 81.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 51' ' ' HIS . 61.0 p -67.54 -45.91 74.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.469 ' C ' ' ND2' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -57.55 -43.85 84.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.517 HD11 HD11 ' A' ' 60' ' ' ILE . 4.0 tp -68.13 -42.08 80.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.973 ' O ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -62.98 -31.23 72.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.411 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 16.1 ttt-85 -68.41 -36.77 79.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.9 t -70.9 -44.77 75.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.517 HD11 HD11 ' A' ' 56' ' ' LEU . 98.6 mt -72.38 -43.3 64.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.973 HD12 ' O ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -120.78 132.5 55.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.496 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -62.13 -166.63 0.53 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.452 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -74.94 -19.58 17.84 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.491 1.785 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.942 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.51 -58.75 3.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.942 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.0 4.51 4.68 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.453 1.765 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.452 ' HB2' ' HA ' ' A' ' 63' ' ' PRO . 2.8 t80 -77.67 -47.51 19.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.59 -30.0 70.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.788 ' HB3' HG22 ' A' ' 143' ' ' VAL . 6.0 mp -68.8 -46.54 68.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.751 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 27.8 t90 -70.68 -41.54 71.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 108.004 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 11.3 mmt -61.9 -38.1 87.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -68.79 -44.21 74.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.89 -28.69 62.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.259 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.751 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 16.8 t90 -71.69 -44.22 64.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 108.042 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.91 -45.31 92.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.38 -46.37 80.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 0.752 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.407 ' O ' ' HB ' ' A' ' 79' ' ' THR . 63.7 mm-40 -55.93 -45.98 78.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 77' ' ' LEU . 2.1 mt -60.73 -45.46 94.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -60.4 -30.21 69.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -67.73 -34.92 77.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.378 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.433 HG12 HD12 ' A' ' 81' ' ' ILE . 3.1 t -67.97 -46.95 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.719 HG13 HG23 ' A' ' 101' ' ' THR . 1.7 mp -66.56 -50.18 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.46 86.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 79' ' ' THR . . . -59.3 -49.24 78.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.537 ' HB1' ' OD1' ' A' ' 93' ' ' ASN . . . -60.48 -49.32 78.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 m -58.95 -29.07 66.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.395 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -74.78 -38.92 62.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -135.13 119.11 13.26 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 54.93 3.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.87 23.57 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 0.2 OUTLIER -87.11 141.69 33.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.573 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 90' ' ' HIS . 18.2 Cg_endo -75.0 -22.09 15.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.463 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -75.49 -7.12 53.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.537 ' OD1' ' HB1' ' A' ' 84' ' ' ALA . 92.0 m-20 -78.92 144.44 34.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.403 ' HA3' ' NH2' ' A' ' 125' ' ' ARG . . . 158.8 137.49 2.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -175.97 -69.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 110.336 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -155.99 -122.39 0.76 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.102 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -78.1 0.03 26.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.746 . . . . 0.0 110.267 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -106.06 -54.34 0.72 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 65.36 66.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 110.328 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -133.13 128.4 36.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 110.252 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.719 HG23 HG13 ' A' ' 81' ' ' ILE . 13.4 t -72.96 161.35 30.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.387 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.11 155.92 39.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.646 HD12 HD13 ' A' ' 81' ' ' ILE . 0.6 OUTLIER -62.93 -42.98 99.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.63 -39.03 86.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -45.97 92.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.579 HD12 HD11 ' A' ' 81' ' ' ILE . 23.8 mt -75.6 -16.5 60.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.39 -48.04 16.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.403 ' CA ' ' OE1' ' A' ' 120' ' ' GLN . . . 114.41 19.1 6.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.907 ' HA ' HG22 ' A' ' 114' ' ' VAL . 7.2 tp -91.62 6.35 46.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.624 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.66 162.01 4.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -61.15 125.16 22.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 77.8 -1.06 69.24 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.624 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 8.5 mtt -102.37 -21.49 14.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.769 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.907 HG22 ' HA ' ' A' ' 109' ' ' LEU . 10.7 t -69.75 125.3 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 78.83 -3.44 64.58 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -121.99 98.65 44.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -62.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.02 -43.93 70.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.53 -35.65 92.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.558 ' CD ' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -65.77 -42.06 91.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.786 . . . . 0.0 110.31 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.805 ' HB2' HD11 ' A' ' 49' ' ' LEU . . . -65.88 -35.83 81.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.02 -20.16 58.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.521 ' HA ' HD23 ' A' ' 123' ' ' LEU . 1.0 OUTLIER -86.95 -33.3 19.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.558 HD11 ' CD ' ' A' ' 120' ' ' GLN . 5.2 mt -78.94 148.72 32.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -73.62 157.74 87.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 108.24 2.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.31 -42.28 1.09 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.097 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.463 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 1.5 mt-10 -56.56 -34.68 67.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 0.753 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.42 -41.25 96.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 51.8 t -59.33 -39.78 79.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.74 -38.86 76.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.54 ' CG1' HD22 ' A' ' 106' ' ' LEU . 8.2 mt -69.05 -42.16 81.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.527 HG22 ' HB3' ' A' ' 44' ' ' MET . 1.7 m -63.26 -46.25 87.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.386 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.02 99.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 29.1 p -67.48 -33.72 75.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.987 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.18 -42.31 80.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.503 HD21 ' HG3' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -69.18 -36.38 77.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -66.92 -39.52 87.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.21 -30.79 69.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.411 ' CZ ' ' CG2' ' A' ' 36' ' ' THR . 2.4 t80 -65.56 -62.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 2.6 ptp85 -52.8 -26.08 13.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -72.53 -30.39 64.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.788 HG22 ' HB3' ' A' ' 68' ' ' LEU . 3.3 t -84.68 -31.35 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.21 -49.92 25.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.531 ' HD3' ' HB3' ' A' ' 147' ' ' ALA . 5.1 tmm_? -60.9 -45.27 95.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.509 ' C ' ' O ' ' A' ' 145' ' ' ARG . 0.2 OUTLIER 31.0 86.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.531 ' HB3' ' HD3' ' A' ' 145' ' ' ARG . . . -175.88 136.51 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -117.84 118.79 34.48 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 109.7 2.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.465 1.771 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -103.62 151.89 22.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.91 87.62 0.07 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.462 ' HG2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo -75.0 -46.88 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' TRP . . . . . 0.747 ' CH2' HD11 ' A' ' 180' ' ' LEU . 38.9 p90 -77.41 -19.3 56.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 108.005 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.83 -32.82 67.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -79.8 -19.22 49.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 153' ' ' TRP . 9.5 mt -84.17 121.0 36.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.596 ' O ' ' CE1' ' A' ' 167' ' ' PHE . 1.9 m -127.37 141.93 51.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.555 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 2.9 tm0? -85.77 129.93 34.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.433 ' N ' ' OE2' ' A' ' 162' ' ' GLU . . . -127.87 163.72 21.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -27.74 9.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.782 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 3.0 m -67.97 -29.36 68.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.433 ' OE2' ' N ' ' A' ' 159' ' ' GLY . 15.8 pt-20 -102.68 135.65 43.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.405 ' CB ' ' HB2' ' A' ' 166' ' ' ASP . 0.5 OUTLIER -57.3 133.05 54.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.003 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.45 ' CE2' ' CG1' ' A' ' 222' ' ' VAL . 2.4 t80 -55.84 -51.84 66.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.85 HG23 ' CG2' ' A' ' 219' ' ' ILE . 0.3 OUTLIER -62.68 -44.24 99.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.42 ' N ' ' CG1' ' A' ' 165' ' ' VAL . 45.9 m-20 -59.0 -47.83 83.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 157' ' ' THR . 84.4 t80 -64.58 -40.48 95.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.65 -39.76 71.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -63.42 -43.36 97.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -62.86 -37.53 87.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.599 HD11 ' HB3' ' A' ' 192' ' ' CYS . 0.4 OUTLIER -71.3 -45.87 62.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.51 HG12 HD13 ' A' ' 189' ' ' ILE . 23.0 mt -61.25 -38.9 80.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -68.96 -37.44 78.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.497 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -68.51 -41.04 80.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 0.579 HG13 HD12 ' A' ' 180' ' ' LEU . 37.7 t -69.4 -45.25 79.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -55.6 -33.69 64.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -98.55 19.8 52.95 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 25.5 p -112.89 165.81 11.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -93.51 88.8 6.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.747 HD11 ' CH2' ' A' ' 153' ' ' TRP . 16.9 mt -126.57 155.01 75.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.593 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.4 Cg_endo -74.99 162.79 36.57 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 75.67 3.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.792 . . . . 0.0 110.967 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 167.44 -31.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.974 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.593 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -81.49 -11.93 59.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 7.7 mtm180 -84.43 70.52 10.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.918 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 175.6 -57.4 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' PRO . . . . . 0.918 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.4 Cg_endo -74.98 -29.94 7.73 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 24.5 t -65.2 -41.08 90.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.51 HD13 HG12 ' A' ' 172' ' ' ILE . 39.1 mt -66.32 -48.06 82.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' ILE . . . . . 0.668 HD11 ' C ' ' A' ' 214' ' ' THR . 29.6 mt -65.61 -41.92 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' A' ' 191' ' ' ASP . 31.9 t0 -59.62 -40.56 87.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 192' ' ' CYS . . . . . 0.599 ' HB3' HD11 ' A' ' 171' ' ' LEU . 24.4 m -53.9 -48.5 70.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 193' ' ' PHE . . . . . 0.494 ' CZ ' HG22 ' A' ' 189' ' ' ILE . 7.2 m-30 -53.34 -45.1 68.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 194' ' ' ARG . . . . . 0.655 ' HB3' HG21 ' A' ' 205' ' ' ILE . 0.1 OUTLIER -96.01 20.37 10.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -102.16 -33.9 9.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.09 72.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 197' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 198' ' ' GLN . 4.8 p -147.37 157.04 43.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 198' ' ' GLN . . . . . 0.506 ' HB2' ' HD2' ' A' ' 199' ' ' PRO . 0.3 OUTLIER -39.29 162.35 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 199' ' ' PRO . . . . . 0.506 ' HD2' ' HB2' ' A' ' 198' ' ' GLN . 18.4 Cg_endo -75.03 -30.6 6.95 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.497 1.788 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -45.29 85.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.514 ' CD1' HG11 ' A' ' 222' ' ' VAL . 2.8 mm -74.96 -45.75 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -59.28 -40.46 86.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . 0.408 ' OE1' ' HB2' ' A' ' 207' ' ' ALA . 2.8 tp-100 -64.67 -33.48 76.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.904 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.5 OUTLIER -70.33 -48.88 54.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.655 HG21 ' HB3' ' A' ' 194' ' ' ARG . 0.2 OUTLIER -63.28 -39.1 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -64.44 -42.78 95.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 207' ' ' ALA . . . . . 0.408 ' HB2' ' OE1' ' A' ' 203' ' ' GLN . . . -78.17 -0.26 27.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 208' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -59.92 151.11 66.16 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . 0.528 ' HD2' HD12 ' A' ' 212' ' ' LEU . 18.2 Cg_endo -74.96 146.83 33.32 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 110.984 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 12.9 m -69.33 61.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 13.5 m -156.74 -38.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.433 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 212' ' ' LEU . . . . . 0.746 ' O ' HG23 ' A' ' 213' ' ' THR . 1.6 mt -74.03 124.01 25.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.4 p -161.3 32.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.428 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 214' ' ' THR . . . . . 0.668 ' C ' HD11 ' A' ' 190' ' ' ILE . 7.0 p -127.61 153.21 77.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.431 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.21 3.89 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -164.78 -51.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -71.5 -32.71 68.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 218' ' ' ILE . . . . . 0.567 HG21 HG23 ' A' ' 190' ' ' ILE . 50.8 mm -68.64 -51.7 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 219' ' ' ILE . . . . . 0.85 ' CG2' HG23 ' A' ' 165' ' ' VAL . 3.9 mt -63.85 -43.35 97.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -62.43 -44.48 96.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.458 ' CZ ' HD23 ' A' ' 204' ' ' LEU . 5.9 t80 -64.37 -50.47 67.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.514 HG11 ' CD1' ' A' ' 201' ' ' ILE . 2.7 t -60.29 -44.9 96.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.533 HD11 ' CG2' ' A' ' 165' ' ' VAL . 13.2 mt -61.49 -40.62 95.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -62.98 -51.25 67.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . 0.904 ' HB3' HD11 ' A' ' 204' ' ' LEU . 5.7 tpt180 -62.63 -35.16 78.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -52.13 -46.5 65.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.99 116.07 25.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 3.4 pt -117.66 136.47 54.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 229' ' ' ALA . . . . . 0.802 ' HB3' ' HD3' ' A' ' 230' ' ' PRO . . . -57.39 -52.88 70.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 230' ' ' PRO . . . . . 0.802 ' HD3' ' HB3' ' A' ' 229' ' ' ALA . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 31.8 m-90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 9.7 t -131.85 140.43 38.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.405 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 12' ' ' THR . 18.4 Cg_endo -74.98 144.02 29.83 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.44 1.758 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.762 ' HG ' HD11 ' A' ' 19' ' ' ILE . 0.5 OUTLIER -64.34 100.49 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.553 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.4 OUTLIER -113.49 140.66 24.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 15' ' ' GLU . 18.2 Cg_endo -75.02 -34.67 3.63 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.545 ' HG3' HD23 ' A' ' 18' ' ' LEU . 1.7 pttm -71.11 -47.79 56.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.545 HD23 ' HG3' ' A' ' 17' ' ' LYS . 12.1 mt -65.93 -43.31 88.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.832 HG21 HD12 ' A' ' 56' ' ' LEU . 35.9 mt -58.68 -37.12 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.363 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.0 m -61.77 -39.67 92.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -48.8 73.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.638 HD21 ' HG3' ' A' ' 39' ' ' GLU . 1.5 tt -65.13 -37.93 89.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.615 ' HB2' HG12 ' A' ' 60' ' ' ILE . . . -66.69 -34.51 78.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.491 ' O ' ' CG ' ' A' ' 27' ' ' ARG . 2.7 m-20 -62.21 -33.09 73.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.512 HG23 ' HG3' ' A' ' 29' ' ' LYS . 1.1 m -71.31 -36.22 71.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.415 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.799 ' CG1' HG23 ' A' ' 36' ' ' THR . 68.8 t -65.03 -51.47 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.648 ' HG3' HG23 ' A' ' 28' ' ' THR . 0.7 OUTLIER -56.74 -34.21 67.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.648 HG23 ' HG3' ' A' ' 27' ' ' ARG . 28.1 p -87.21 -22.76 25.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.428 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.564 ' HB3' HG21 ' A' ' 35' ' ' ILE . 5.3 mmtm -95.68 9.64 39.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.64 126.01 0.02 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.491 HD23 ' CE1' ' A' ' 140' ' ' PHE . 3.9 mp -67.58 -34.88 77.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.63 2.28 56.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.285 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -92.36 161.54 32.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.507 ' O ' ' CG1' ' A' ' 35' ' ' ILE . 18.4 Cg_endo -75.0 98.41 1.16 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.491 1.785 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.564 HG21 ' HB3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER 163.64 -31.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.799 HG23 ' CG1' ' A' ' 26' ' ' VAL . 66.7 m -59.24 -47.81 83.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.385 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.501 ' SD ' HD23 ' A' ' 137' ' ' LEU . 16.8 mmt -64.58 -38.07 89.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.64 -52.62 43.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.638 ' HG3' HD21 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -61.25 -47.48 85.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 36' ' ' THR . 59.9 t -59.97 -45.76 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 45' ' ' SER . 18.6 mt-10 -67.5 -23.79 65.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.258 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -60.58 -55.39 33.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.833 ' CD1' HD21 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -72.51 -49.68 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.505 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 24.4 mtt -65.85 -10.69 40.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 111.029 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 41' ' ' GLU . 11.0 t -36.8 -33.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -107.34 162.67 18.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.011 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 149.68 37.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.749 HD13 HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -150.35 173.01 14.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.645 ' N ' HD23 ' A' ' 49' ' ' LEU . 1.7 mt -74.55 161.58 77.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HB3' HG21 ' A' ' 132' ' ' ILE . 18.2 Cg_endo -74.97 -26.6 10.81 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.502 1.791 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.465 ' O ' ' OG1' ' A' ' 54' ' ' THR . 0.5 OUTLIER -67.95 -48.01 67.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.597 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.723 ' OD2' HD22 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -64.68 -31.09 72.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.749 HG23 HD13 ' A' ' 48' ' ' LEU . 2.0 t -54.27 -47.72 68.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 51' ' ' HIS . 76.7 p -67.0 -40.14 87.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -62.57 -42.9 99.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.833 HD21 ' CD1' ' A' ' 43' ' ' LEU . 3.9 tp -70.99 -44.47 65.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.562 ' HG2' ' CZ2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -63.77 -28.59 69.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 61' ' ' LEU . 2.7 tmt_? -71.3 -36.3 71.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.2 t -75.5 -48.1 31.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.615 HG12 ' HB2' ' A' ' 23' ' ' ALA . 8.5 mt -73.5 -44.41 53.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 57' ' ' MET . 0.1 OUTLIER -99.92 132.92 44.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.462 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -59.5 172.56 4.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.452 ' O ' ' CB ' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.04 -42.91 0.43 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.492 1.785 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.845 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -61.3 -54.52 52.32 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.845 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.0 6.73 3.22 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.509 1.794 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.452 ' CB ' ' O ' ' A' ' 63' ' ' PRO . 5.2 t80 -75.05 -45.67 40.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.5 -29.69 68.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.791 ' HB3' HG22 ' A' ' 143' ' ' VAL . 7.0 mp -67.09 -47.12 72.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.581 ' HZ3' ' HE2' ' A' ' 70' ' ' MET . 25.1 t90 -70.6 -43.46 69.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 108.023 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.581 ' HE2' ' HZ3' ' A' ' 69' ' ' TRP . 0.4 OUTLIER -59.27 -37.02 76.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -70.89 -46.22 62.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.93 -28.8 66.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.532 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 15.0 t90 -66.85 -44.59 80.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 108.006 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.61 -41.16 93.48 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.18 -47.07 79.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.414 ' O ' ' HB ' ' A' ' 79' ' ' THR . 1.5 mp0 -58.6 -45.89 88.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.757 ' CD2' HD13 ' A' ' 106' ' ' LEU . 2.4 mt -60.7 -46.57 89.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -58.85 -36.69 74.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 76' ' ' GLN . 1.0 OUTLIER -59.46 -36.11 75.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.395 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.56 HG11 HD11 ' A' ' 106' ' ' LEU . 2.2 t -71.01 -34.72 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.468 HG13 ' CD1' ' A' ' 103' ' ' LEU . 29.4 mm -71.6 -45.6 66.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.65 -44.0 83.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.44 -45.64 80.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.476 ' HA ' ' CD2' ' A' ' 90' ' ' HIS . . . -68.09 -40.43 82.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.2 m -60.27 -38.39 83.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.413 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -75.07 -43.02 55.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.52 107.48 60.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.444 ' O ' ' CG ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.95 53.98 3.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 88' ' ' PRO . 34.6 mtp180 -160.78 26.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.476 ' CD2' ' HA ' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -78.28 145.15 67.97 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.621 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.405 ' HD2' ' ND1' ' A' ' 90' ' ' HIS . 18.5 Cg_endo -74.94 -21.95 15.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.489 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -73.95 -7.13 51.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -84.95 152.82 23.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.74 -96.23 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -96.26 -61.9 1.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.99 -2.22 11.73 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -96.24 0.13 50.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 150.75 43.31 0.02 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -125.02 -72.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 0.77 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 65.09 145.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.318 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.427 ' CG2' ' HB3' ' A' ' 84' ' ' ALA . 13.0 t -72.72 140.89 48.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -127.3 155.19 43.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.468 ' CD1' HG13 ' A' ' 81' ' ' ILE . 5.2 tp -63.36 -37.83 88.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.65 -42.59 99.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -46.43 89.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.757 HD13 ' CD2' ' A' ' 77' ' ' LEU . 6.0 mt -70.85 -21.58 62.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -61.04 -51.51 68.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.361 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.44 ' HA2' ' CE ' ' A' ' 113' ' ' MET . . . 108.51 18.37 9.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.771 ' HA ' HG22 ' A' ' 114' ' ' VAL . 3.8 tp -105.21 5.97 32.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.817 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.87 129.2 41.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -46.26 134.51 8.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.29 -18.59 57.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.817 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 36.2 mtp -101.18 -33.32 10.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.771 HG22 ' HA ' ' A' ' 109' ' ' LEU . 2.4 t -70.62 124.61 27.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.24 3.08 65.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -146.6 101.4 4.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.412 ' O ' HD11 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.98 -44.92 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -76.49 -26.76 55.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -75.92 -42.5 25.02 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.459 ' CD ' HD13 ' A' ' 49' ' ' LEU . 14.4 pt20 -66.29 -38.64 88.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.742 . . . . 0.0 110.338 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 120' ' ' GLN . . . -63.41 -39.51 94.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.21 -22.05 52.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.462 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -79.04 -42.21 27.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.517 HD21 ' CE ' ' A' ' 113' ' ' MET . 1.4 mt -73.39 -169.87 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -118.22 157.31 49.32 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 108.24 2.67 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.26 -45.1 0.81 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.489 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 8.3 mt-10 -56.93 -37.89 72.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.829 ' HA ' HD12 ' A' ' 132' ' ' ILE . 1.4 mt -60.52 -45.91 92.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.2 t -59.23 -39.8 79.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.71 86.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.829 HD12 ' HA ' ' A' ' 129' ' ' LEU . 6.4 mt -69.22 -38.92 78.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.42 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 5.9 m -64.59 -48.91 73.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.432 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.37 -48.14 76.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.2 m -60.36 -34.71 74.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.81 -43.12 76.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.505 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -65.7 -40.34 92.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -62.6 -36.88 84.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.42 -27.96 66.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.517 ' CE2' HD23 ' A' ' 61' ' ' LEU . 1.6 t80 -68.37 -50.26 54.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.132 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.426 ' HG3' ' HE3' ' A' ' 37' ' ' MET . 5.4 mtp180 -61.86 -25.07 67.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -72.51 -35.44 68.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.269 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.791 HG22 ' HB3' ' A' ' 68' ' ' LEU . 30.2 t -81.25 -43.52 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.35 -50.04 75.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 147' ' ' ALA . 6.2 mtt-85 -73.3 -44.93 58.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.1 tt 66.0 -75.04 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 145' ' ' ARG . . . -137.47 -174.78 3.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -82.17 121.06 78.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 141.99 27.42 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.807 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 151' ' ' GLY . . . -103.1 151.73 22.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.452 ' O ' ' HB3' ' A' ' 154' ' ' ALA . . . -37.46 108.44 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.44 ' HD2' ' CE3' ' A' ' 153' ' ' TRP . 18.3 Cg_endo -74.99 -46.93 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' TRP . . . . . 0.813 ' HA ' HD12 ' A' ' 156' ' ' ILE . 27.2 p90 -51.9 -27.39 12.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 108.008 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 151' ' ' GLY . . . -62.91 -32.66 73.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.4 -22.03 41.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.813 HD12 ' HA ' ' A' ' 153' ' ' TRP . 12.8 mt -82.99 120.71 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.616 ' C ' ' CE2' ' A' ' 167' ' ' PHE . 1.5 m -130.49 132.14 45.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.401 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.644 ' N ' ' CZ ' ' A' ' 167' ' ' PHE . 0.1 OUTLIER -62.0 121.89 14.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -122.72 156.47 17.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.15 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.78 18.36 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.482 1.78 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 59.6 p -78.98 -23.39 44.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 0.0 110.04 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -113.93 135.64 53.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.39 133.44 55.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.596 ' O ' ' HB2' ' A' ' 168' ' ' ALA . 1.9 t80 -55.85 -39.71 71.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 111.043 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.983 ' CG2' HD11 ' A' ' 223' ' ' LEU . 0.9 OUTLIER -70.99 -52.11 30.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.15 -49.0 75.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.664 ' CE2' HG22 ' A' ' 156' ' ' ILE . 5.2 t80 -68.29 -33.59 74.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 164' ' ' PHE . . . -61.95 -51.02 69.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . 0.522 ' HA ' HG12 ' A' ' 172' ' ' ILE . 75.3 m-20 -52.61 -42.6 64.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.243 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -56.82 -36.54 70.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.591 HD21 ' HB2' ' A' ' 153' ' ' TRP . 0.2 OUTLIER -69.06 -32.25 71.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.838 ' CD1' HG21 ' A' ' 189' ' ' ILE . 2.1 mm -68.42 -43.67 83.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 176' ' ' GLU . 0.0 OUTLIER -67.27 -33.87 76.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.22 -52.87 16.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 0.918 HG12 ' HG3' ' A' ' 185' ' ' ARG . 70.1 t -60.42 -49.17 85.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 173' ' ' LYS . 0.3 OUTLIER -64.98 -31.85 73.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -97.1 23.85 33.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 80.3 p -122.37 166.3 14.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.983 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -80.34 65.32 5.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.673 HD11 ' CZ3' ' A' ' 153' ' ' TRP . 15.2 mt -111.54 155.21 43.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.4 Cg_endo -75.0 159.71 41.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.781 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 57.47 4.57 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 20.7 t -167.79 -41.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.038 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.644 ' HB1' HG21 ' A' ' 188' ' ' VAL . . . -71.13 -11.35 60.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . 0.918 ' HG3' HG12 ' A' ' 175' ' ' VAL . 0.6 OUTLIER -80.88 65.19 5.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 110.346 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.953 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 179.09 -59.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' PRO . . . . . 0.953 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.1 Cg_endo -75.04 -28.53 9.02 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.644 HG21 ' HB1' ' A' ' 184' ' ' ALA . 66.5 t -67.44 -38.9 81.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.838 HG21 ' CD1' ' A' ' 172' ' ' ILE . 7.7 mt -67.5 -48.61 76.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' ILE . . . . . 0.735 HD11 ' C ' ' A' ' 214' ' ' THR . 63.8 mt -66.02 -35.88 76.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.175 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -40.15 89.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 24.0 m -54.24 -43.65 71.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.316 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 193' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -59.4 -50.35 74.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 194' ' ' ARG . . . . . 0.62 ' HB3' HG21 ' A' ' 205' ' ' ILE . 0.0 OUTLIER -87.18 19.71 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -106.39 -32.31 8.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.253 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.57 73.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 197' ' ' SER . . . . . . . . . . . . . 38.3 p -142.8 163.1 33.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 198' ' ' GLN . . . . . 0.41 ' O ' ' CB ' ' A' ' 202' ' ' GLN . 2.4 mp0 -43.79 167.07 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -37.35 2.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -49.14 70.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 8.4 mm -68.99 -35.99 71.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' GLN . . . . . 0.42 ' NE2' ' HB2' ' A' ' 194' ' ' ARG . 9.7 tp60 -70.43 -48.53 55.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -61.41 -27.86 68.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.67 HD23 ' CE2' ' A' ' 221' ' ' TYR . 0.2 OUTLIER -67.28 -51.09 57.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.62 HG21 ' HB3' ' A' ' 194' ' ' ARG . 0.5 OUTLIER -65.54 -44.09 94.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -62.86 -33.26 74.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -91.59 -5.57 53.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 208' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -64.41 155.65 79.67 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . 0.709 ' HB2' HG22 ' A' ' 211' ' ' THR . 18.3 Cg_endo -74.99 146.91 33.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 1.5 p -66.12 -9.73 34.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . 0.858 HG23 ' CD2' ' A' ' 212' ' ' LEU . 14.9 t -72.74 -12.28 60.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.432 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 212' ' ' LEU . . . . . 0.884 ' O ' HG23 ' A' ' 213' ' ' THR . 1.0 OUTLIER -111.36 135.27 52.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.884 HG23 ' O ' ' A' ' 212' ' ' LEU . 0.7 OUTLIER -167.13 30.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.38 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 214' ' ' THR . . . . . 0.735 ' C ' HD11 ' A' ' 190' ' ' ILE . 14.6 p -129.19 154.58 80.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 55.02 3.82 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.46 1.768 . . . . 0.0 111.041 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -161.3 -51.23 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' A' ' 217' ' ' GLU . 0.8 OUTLIER -73.67 -34.27 64.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 110.323 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 218' ' ' ILE . . . . . 0.476 HG12 HD13 ' A' ' 190' ' ' ILE . 1.1 mp -63.09 -44.83 99.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 219' ' ' ILE . . . . . 0.589 HG23 ' CE2' ' A' ' 164' ' ' PHE . 4.4 mt -73.75 -45.27 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.36 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -56.7 -38.04 71.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.67 ' CE2' HD23 ' A' ' 204' ' ' LEU . 7.1 t80 -74.23 -45.46 47.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.501 ' HA ' HD22 ' A' ' 204' ' ' LEU . 2.6 t -59.75 -49.47 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.983 HD11 ' CG2' ' A' ' 165' ' ' VAL . 78.4 mt -61.53 -42.53 98.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.58 -31.02 71.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . 0.549 ' CB ' HD21 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -79.68 -37.65 35.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . 0.554 HE21 HD23 ' A' ' 223' ' ' LEU . 33.3 mt-30 -51.54 -55.99 15.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 1.5 mttt 64.68 147.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 2.6 mp -96.67 -59.51 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 229' ' ' ALA . . . . . . . . . . . . . . . -82.36 154.75 69.26 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 230' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.2 0 O-C-N 124.487 1.782 . . . . 0.0 110.986 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 13.8 m95 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.7 m -132.13 105.37 13.66 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.2 31.1 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.432 1.754 . . . . 0.0 111.05 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.516 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -86.11 100.29 12.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.539 ' OE2' ' CD1' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -135.36 158.54 74.31 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.243 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.78 2.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -58.61 -46.47 86.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.539 ' CD1' ' OE2' ' A' ' 15' ' ' GLU . 56.1 mt -70.31 -48.28 57.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.624 HG23 ' CD1' ' A' ' 56' ' ' LEU . 46.1 mt -57.62 -41.01 78.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -69.38 -38.08 77.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.397 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -64.69 -49.43 70.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.352 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.465 HD13 ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -67.57 -42.71 82.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.424 ' CB ' HG12 ' A' ' 59' ' ' VAL . . . -59.87 -34.62 73.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -62.78 -44.71 95.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.492 HG22 ' CD ' ' A' ' 39' ' ' GLU . 1.3 m -62.44 -37.42 85.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.454 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.865 HG13 ' OG1' ' A' ' 36' ' ' THR . 55.9 t -58.29 -41.64 81.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.1 ttm-85 -67.03 -48.8 67.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.5 p -69.65 -21.28 63.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HB3' ' CG2' ' A' ' 35' ' ' ILE . 17.8 mmtt -94.76 -13.95 25.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.87 122.16 3.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.512 HD21 ' CE1' ' A' ' 140' ' ' PHE . 0.2 OUTLIER -66.72 -23.9 66.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.771 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.39 2.35 56.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.78 165.47 22.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.968 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -40.04 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.502 1.79 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -47.38 -31.6 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.865 ' OG1' HG13 ' A' ' 26' ' ' VAL . 1.2 m -62.57 -49.09 76.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.389 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -40.11 95.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.05 -45.44 73.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.56 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 11.0 mt-10 -61.68 -47.86 83.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.663 HG22 HD13 ' A' ' 60' ' ' ILE . 35.4 t -59.95 -44.98 95.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.5 mt-10 -66.97 -23.67 65.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -62.55 -55.49 26.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.728 HD11 HD21 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -72.87 -42.58 63.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.513 ' SD ' ' CD1' ' A' ' 137' ' ' LEU . 29.6 mtt -71.89 -10.29 59.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 41' ' ' GLU . 94.3 p -37.42 -31.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.1 OUTLIER -108.1 165.95 11.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 149.43 36.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.798 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.538 HD13 ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -150.33 165.61 32.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.812 ' O ' HG23 ' A' ' 53' ' ' VAL . 10.5 mt -67.67 163.33 49.59 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.02 -31.19 6.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.79 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.443 ' O ' ' OG1' ' A' ' 54' ' ' THR . 2.5 t60 -67.87 -42.37 81.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.608 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.52 -31.15 72.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 49' ' ' LEU . 55.3 t -59.36 -47.61 89.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.532 ' CG2' ' HE1' ' A' ' 70' ' ' MET . 16.1 p -66.51 -38.81 88.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -43.62 90.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.728 HD21 HD11 ' A' ' 43' ' ' LEU . 6.6 tp -66.32 -50.66 62.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.583 ' SD ' HD21 ' A' ' 61' ' ' LEU . 11.6 mmt -57.09 -42.33 80.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 111.045 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 61' ' ' LEU . 3.5 ttt180 -56.3 -36.2 68.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.469 HG11 HG22 ' A' ' 19' ' ' ILE . 53.5 t -75.15 -46.32 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.663 HD13 HG22 ' A' ' 40' ' ' VAL . 35.6 mt -63.71 -44.43 98.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.749 HD22 ' CE1' ' A' ' 140' ' ' PHE . 0.5 OUTLIER -122.12 131.74 54.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.586 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -50.14 -176.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.451 1.095 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.455 ' HA ' ' HB3' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.97 -24.82 12.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.539 1.81 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.899 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -64.64 -56.39 22.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.899 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.97 -22.18 15.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.548 ' CZ ' ' SD ' ' A' ' 70' ' ' MET . 3.4 t80 -54.75 -45.06 74.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.66 -30.14 71.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.845 ' HB3' HG22 ' A' ' 143' ' ' VAL . 8.8 mp -70.94 -37.48 72.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.721 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 7.8 t90 -71.27 -34.44 70.69 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.548 ' SD ' ' CZ ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -65.86 -37.45 86.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -67.15 -47.35 71.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.17 -43.44 82.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.721 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 12.8 t90 -54.52 -38.61 66.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 108.003 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.67 -44.63 97.65 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.537 1.148 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.6 t -68.58 -46.99 79.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.417 ' O ' ' HB ' ' A' ' 79' ' ' THR . 2.2 mp0 -57.53 -46.26 84.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.767 ' CD2' HD13 ' A' ' 106' ' ' LEU . 4.4 mt -60.53 -45.81 92.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.521 ' HA ' HD13 ' A' ' 103' ' ' LEU . 58.1 mt-30 -62.61 -29.23 70.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.509 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 0.8 OUTLIER -64.99 -34.83 79.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.381 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 37.6 t -68.11 -50.71 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.971 HG13 HG23 ' A' ' 101' ' ' THR . 1.6 mp -63.17 -49.95 81.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.55 -39.51 84.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 79' ' ' THR . . . -58.7 -48.18 81.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.64 ' HB2' ' CB ' ' A' ' 90' ' ' HIS . . . -65.74 -40.29 91.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.5 m -61.12 -39.82 91.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -74.97 -43.35 54.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -132.9 120.82 16.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.89 3.77 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 111.017 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.03 6.36 6.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.64 ' CB ' ' HB2' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -85.26 134.11 41.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.613 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.462 ' O ' ' NH2' ' A' ' 125' ' ' ARG . 18.1 Cg_endo -75.0 -21.09 16.21 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.9 -16.1 26.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.45 ' O ' ' OD1' ' A' ' 93' ' ' ASN . 46.3 p-10 -86.38 155.22 20.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.81 -126.55 0.09 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -170.16 50.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.751 . . . . 0.0 110.32 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -115.57 -167.27 15.11 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.432 ' HB2' ' NH1' ' A' ' 97' ' ' ARG . 14.1 ttm105 -86.13 0.17 54.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 179.41 47.71 0.08 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.09 -76.19 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 64.34 142.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.971 HG23 HG13 ' A' ' 81' ' ' ILE . 14.4 t -71.26 164.45 25.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.361 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -144.35 151.05 38.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.676 HD11 ' HB3' ' A' ' 77' ' ' LEU . 6.1 tp -63.88 -45.93 87.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.496 ' HA ' ' CG ' ' A' ' 107' ' ' LYS . 0.2 OUTLIER -55.26 -37.63 67.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -36.34 61.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.767 HD13 ' CD2' ' A' ' 77' ' ' LEU . 69.8 mt -87.65 -26.17 23.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.496 ' CG ' ' HA ' ' A' ' 104' ' ' ASP . 9.0 mmtt -50.05 -43.81 51.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 101.78 -1.91 52.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.438 1.087 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.618 ' HA ' HG22 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -81.71 3.96 23.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 0.796 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.788 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.13 132.98 55.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.38 123.77 9.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.088 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.08 -17.8 58.62 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.54 1.15 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.788 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 26.0 mtp -101.67 -5.15 25.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 0.742 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.618 HG22 ' HA ' ' A' ' 109' ' ' LEU . 2.1 t -96.18 128.95 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 76.93 3.16 80.06 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.472 1.108 . . . . 0.0 111.03 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -129.3 110.98 18.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -80.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -54.98 -33.45 62.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.92 -42.09 95.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.486 ' HG3' HD21 ' A' ' 124' ' ' LEU . 25.3 tt0 -62.53 -44.91 95.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.59 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -65.62 -28.96 69.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.94 -14.34 59.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.742 HD13 ' HG3' ' A' ' 113' ' ' MET . 0.8 OUTLIER -89.04 -20.79 23.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.486 HD21 ' HG3' ' A' ' 120' ' ' GLN . 0.2 OUTLIER -124.82 127.42 47.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.462 ' NH2' ' O ' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -55.73 159.74 4.86 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.243 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 125' ' ' ARG . 18.4 Cg_endo -74.99 107.85 2.58 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.488 1.783 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 171.42 -45.03 0.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.684 ' HG2' HD21 ' A' ' 106' ' ' LEU . 1.6 mt-10 -62.22 -31.8 72.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.288 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.595 ' CD2' HD23 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -60.71 -43.5 97.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.43 -39.8 80.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.36 96.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.59 HD12 ' HA ' ' A' ' 129' ' ' LEU . 13.5 mt -69.41 -38.67 77.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.469 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 32.0 m -67.89 -39.7 83.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.417 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.6 -46.1 70.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.1 m -66.91 -33.73 76.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.71 -42.62 97.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.513 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -69.49 -34.02 73.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -69.66 -41.3 75.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.9 -33.54 74.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.749 ' CE1' HD22 ' A' ' 61' ' ' LEU . 8.0 t80 -64.52 -60.57 2.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -52.84 -24.9 9.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -69.91 -40.21 75.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.845 HG22 ' HB3' ' A' ' 68' ' ' LEU . 4.9 t -72.35 -35.89 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -70.12 -49.92 45.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.4 -7.12 53.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.351 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -40.18 -70.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -177.02 -47.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -68.1 114.19 19.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 176.14 10.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.78 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -103.5 151.86 22.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.42 ' HA3' ' CZ3' ' A' ' 153' ' ' TRP . . . -47.38 116.32 2.6 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 155' ' ' ASP . 18.2 Cg_endo -75.04 -20.06 17.15 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' TRP . . . . . 0.836 ' HA ' HD12 ' A' ' 156' ' ' ILE . 5.6 p90 -51.6 -31.92 26.81 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.66 -32.77 73.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 152' ' ' PRO . 0.5 OUTLIER -79.72 -21.79 44.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.88 HG22 ' CE1' ' A' ' 167' ' ' PHE . 17.2 mt -82.1 120.85 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.601 ' C ' ' CE1' ' A' ' 167' ' ' PHE . 21.8 p -125.22 145.01 50.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.582 ' CG ' ' CD2' ' A' ' 167' ' ' PHE . 0.1 OUTLIER -85.96 129.44 34.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -126.1 166.25 18.95 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -27.51 9.9 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.447 1.762 . . . . 0.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.35 -23.11 60.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.586 1.179 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -108.52 135.12 50.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.94 135.08 56.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.62 ' CE2' HG23 ' A' ' 219' ' ' ILE . 1.7 t80 -56.52 -49.22 75.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.972 HG23 HG21 ' A' ' 219' ' ' ILE . 0.5 OUTLIER -66.92 -42.43 88.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -58.14 -47.9 81.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.896 ' CZ ' HD12 ' A' ' 171' ' ' LEU . 12.9 t80 -67.34 -42.74 83.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.47 -34.12 64.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -67.28 -51.44 52.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -37.39 77.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.896 HD12 ' CZ ' ' A' ' 167' ' ' PHE . 3.8 tt -70.28 -45.62 65.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.625 HG12 HD13 ' A' ' 189' ' ' ILE . 37.4 mt -59.41 -49.25 84.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -37.72 77.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.514 ' CB ' ' CD1' ' A' ' 156' ' ' ILE . . . -65.59 -51.78 57.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 0.552 HG23 HD23 ' A' ' 171' ' ' LEU . 48.5 t -57.27 -47.91 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.447 ' OE1' HG22 ' A' ' 172' ' ' ILE . 28.6 mt-10 -54.32 -36.45 63.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.244 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -99.94 32.62 7.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 60.0 p -124.67 165.86 17.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.767 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 36.0 p-10 -84.58 85.66 7.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.631 HD11 ' CH2' ' A' ' 153' ' ' TRP . 13.0 mt -130.75 152.4 80.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.599 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.3 Cg_endo -74.97 162.18 37.61 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 72.7 4.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.29 -33.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.599 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -80.65 -11.71 59.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 45.8 mtp180 -84.21 70.05 10.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.896 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 175.46 -57.39 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' PRO . . . . . 0.896 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.4 Cg_endo -74.98 -26.91 10.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.455 1.766 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 184' ' ' ALA . 72.9 t -67.94 -40.29 83.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.625 HD13 HG12 ' A' ' 172' ' ' ILE . 23.7 mt -66.96 -48.23 80.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' ILE . . . . . 0.736 HD11 ' C ' ' A' ' 214' ' ' THR . 68.6 mt -65.65 -43.01 93.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 195' ' ' GLN . 50.6 t0 -63.27 -38.1 89.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 192' ' ' CYS . . . . . 0.415 ' HA ' ' HB2' ' A' ' 195' ' ' GLN . 12.4 m -53.32 -46.21 69.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 108.33 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 193' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -57.74 -48.92 78.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.91 16.73 4.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 191' ' ' ASP . 0.0 OUTLIER -96.82 -48.21 5.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 110.334 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm -156.01 67.56 0.61 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 197' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 198' ' ' GLN . 2.3 m -141.95 165.31 27.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 198' ' ' GLN . . . . . 0.431 ' HG2' ' HB ' ' A' ' 201' ' ' ILE . 0.0 OUTLIER -36.66 154.2 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 199' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -34.2 4.04 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.519 1.8 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.99 -50.73 72.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.699 HD12 HG11 ' A' ' 222' ' ' VAL . 3.9 mm -69.33 -45.57 78.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -58.94 -40.98 86.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . 0.439 ' OE1' ' HB2' ' A' ' 207' ' ' ALA . 2.6 tp-100 -65.27 -38.85 91.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.829 HD11 ' HB3' ' A' ' 225' ' ' ARG . 0.5 OUTLIER -63.78 -49.07 74.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.451 ' O ' ' HB3' ' A' ' 208' ' ' ALA . 0.5 OUTLIER -63.92 -39.68 86.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -63.83 -33.85 76.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 207' ' ' ALA . . . . . 0.439 ' HB2' ' OE1' ' A' ' 203' ' ' GLN . . . -89.96 4.91 48.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 208' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -62.39 155.53 66.58 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . 0.685 ' HG2' HD11 ' A' ' 212' ' ' LEU . 18.3 Cg_endo -75.04 155.48 42.75 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.435 1.755 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.18 23.93 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.966 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . . . . . . . . . 2.5 m -111.6 -3.15 15.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 212' ' ' LEU . . . . . 0.694 ' O ' HG23 ' A' ' 213' ' ' THR . 0.4 OUTLIER -148.2 140.33 24.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 212' ' ' LEU . 2.3 p -160.09 45.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.43 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 214' ' ' THR . . . . . 0.736 ' C ' HD11 ' A' ' 190' ' ' ILE . 82.6 p -119.44 157.49 51.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 55.12 3.83 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.502 1.79 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -158.01 -57.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -73.96 -33.17 63.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 218' ' ' ILE . . . . . 0.59 HG12 HD13 ' A' ' 190' ' ' ILE . 1.3 mp -64.95 -38.6 83.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 219' ' ' ILE . . . . . 0.972 HG21 HG23 ' A' ' 165' ' ' VAL . 6.4 mt -75.56 -50.35 24.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.43 -37.19 69.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.576 ' CZ ' ' CD2' ' A' ' 204' ' ' LEU . 0.4 OUTLIER -65.86 -50.07 65.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 111.0 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.699 HG11 HD12 ' A' ' 201' ' ' ILE . 12.2 t -62.21 -42.81 96.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.22 -35.89 82.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -71.6 -34.32 69.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.352 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . 0.829 ' HB3' HD11 ' A' ' 204' ' ' LEU . 0.0 OUTLIER -74.03 -40.64 62.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.238 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -52.41 -48.85 65.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 1.5 mttt 64.11 150.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 228' ' ' ILE . . . . . 0.698 HD13 ' HD2' ' A' ' 230' ' ' PRO . 0.2 OUTLIER -94.66 106.76 18.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 229' ' ' ALA . . . . . 0.787 ' HB3' ' HD3' ' A' ' 230' ' ' PRO . . . -70.85 -53.13 9.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 230' ' ' PRO . . . . . 0.787 ' HD3' ' HB3' ' A' ' 229' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.498 1.788 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.9 p -132.19 105.17 13.58 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 135.52 19.29 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.798 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.47 ' CD1' ' C ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.44 101.55 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -118.42 135.37 23.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -43.38 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.46 1.768 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.504 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -58.27 -35.94 72.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.504 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 62.8 mt -73.4 -47.87 38.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.527 HG22 HG11 ' A' ' 59' ' ' VAL . 23.6 mt -59.92 -36.0 64.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 m -65.57 -43.1 90.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.42 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -67.18 -48.9 66.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.628 HD22 HD23 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -63.08 -46.83 85.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.425 ' CB ' HG12 ' A' ' 60' ' ' ILE . . . -60.28 -31.97 70.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -61.64 -38.26 87.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.438 HG21 ' OE2' ' A' ' 39' ' ' GLU . 1.1 m -66.47 -37.51 85.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.586 HG22 HG23 ' A' ' 36' ' ' THR . 7.0 t -56.74 -45.41 82.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -48.49 81.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.7 p -67.96 -32.02 72.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 33' ' ' SER . 22.9 mmtm -82.62 -14.12 55.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . 81.72 127.18 0.91 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.681 HD21 HD22 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -66.9 -24.94 66.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.05 -5.2 58.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -102.44 169.41 7.59 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.025 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.451 ' C ' ' H ' ' A' ' 36' ' ' THR . 18.5 Cg_endo -75.0 -169.99 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.49 1.784 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.45 ' HB ' ' O ' ' A' ' 34' ' ' PRO . 0.2 OUTLIER 77.68 -41.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.655 ' O ' HG23 ' A' ' 40' ' ' VAL . 28.0 m -56.71 -42.64 79.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.425 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -43.6 98.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.42 -41.11 73.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.484 ' HG2' HD21 ' A' ' 22' ' ' LEU . 3.2 mt-10 -59.91 -44.95 93.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 36' ' ' THR . 96.3 t -66.88 -49.02 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.12 -23.17 61.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 39' ' ' GLU . . . -70.45 -55.91 7.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.726 ' CD1' HD21 ' A' ' 56' ' ' LEU . 1.4 pp -68.21 -47.55 67.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.952 ' HG2' HG23 ' A' ' 133' ' ' THR . 0.0 OUTLIER -73.92 -9.76 58.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 44' ' ' MET . 8.8 t -35.68 -39.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 44' ' ' MET . 0.3 OUTLIER -98.5 164.01 17.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.975 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 150.16 37.56 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.523 HD13 HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -154.24 165.97 34.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.659 HD13 ' CD ' ' A' ' 120' ' ' GLN . 0.7 OUTLIER -67.84 165.11 34.31 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -29.68 8.04 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.437 1.756 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.424 ' O ' ' OG1' ' A' ' 54' ' ' THR . 12.2 t60 -67.89 -40.43 83.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.598 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.416 ' HA ' ' OD1' ' A' ' 55' ' ' ASN . 0.7 OUTLIER -65.09 -31.48 72.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.585 HG12 ' CH2' ' A' ' 69' ' ' TRP . 17.0 t -60.95 -46.98 95.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 51' ' ' HIS . 33.6 p -66.74 -41.5 87.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.375 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.432 ' C ' ' ND2' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -66.02 -41.93 90.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.726 HD21 ' CD1' ' A' ' 43' ' ' LEU . 4.3 tp -66.89 -50.98 60.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.524 ' HG3' ' CE2' ' A' ' 69' ' ' TRP . 12.8 mmt -57.32 -43.43 83.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.13 -36.66 65.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.527 HG11 HG22 ' A' ' 19' ' ' ILE . 25.5 t -68.54 -34.31 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.712 HG22 HD23 ' A' ' 61' ' ' LEU . 40.8 mt -78.86 -44.32 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.712 HD23 HG22 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -124.79 134.82 52.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.492 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . -61.46 -162.5 0.19 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.439 ' HA ' ' HB2' ' A' ' 66' ' ' TYR . 18.4 Cg_endo -74.93 -21.38 16.09 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.926 ' HB3' ' HD3' ' A' ' 65' ' ' PRO . . . -71.5 -58.45 3.73 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.926 ' HD3' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.99 5.34 4.04 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.439 ' HB2' ' HA ' ' A' ' 63' ' ' PRO . 0.8 OUTLIER -77.6 -51.31 10.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.956 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.18 -31.39 68.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.923 ' HB3' HG22 ' A' ' 143' ' ' VAL . 7.5 mp -65.59 -47.98 73.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.746 ' CH2' ' CD2' ' A' ' 73' ' ' TRP . 49.6 t90 -71.0 -38.99 72.68 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -43.39 94.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -65.05 -45.17 86.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.439 ' HB1' ' HA ' ' A' ' 139' ' ' ALA . . . -70.03 -28.96 65.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.746 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 12.9 t90 -71.2 -41.51 70.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 107.992 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.65 -42.91 99.47 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.5 t -68.26 -46.93 80.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -58.52 -46.47 86.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.613 ' CD2' HD13 ' A' ' 106' ' ' LEU . 3.2 mt -63.09 -45.85 90.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -58.62 -30.23 67.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -67.72 -36.28 80.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.603 HG13 ' NE2' ' A' ' 90' ' ' HIS . 73.1 t -71.47 -39.26 70.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.499 ' HA ' ' CG2' ' A' ' 101' ' ' THR . 47.5 mm -64.39 -50.2 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.49 -34.31 76.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 79' ' ' THR . . . -65.66 -35.61 81.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.719 ' HB2' ' HD2' ' A' ' 90' ' ' HIS . . . -67.82 -46.16 72.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -35.58 81.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.403 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -76.06 -43.55 43.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -111.02 116.66 51.38 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -1.13 10.81 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.521 1.801 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -99.44 24.3 8.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.719 ' HD2' ' HB2' ' A' ' 84' ' ' ALA . 1.0 OUTLIER -92.83 128.3 44.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.602 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.45 14.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.429 ' HA ' ' CG ' ' A' ' 128' ' ' GLU . . . -62.18 -23.67 66.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.577 ' HB3' ' HB1' ' A' ' 84' ' ' ALA . 23.1 p30 -104.48 154.64 19.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 131.51 109.26 1.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.542 1.151 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -166.09 -67.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.763 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -92.56 -159.34 35.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.4 0.09 30.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 110.265 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -103.27 -32.43 4.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 59.31 60.18 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.744 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.7 128.43 42.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.527 HG22 ' HB3' ' A' ' 84' ' ' ALA . 5.5 t -70.9 170.11 13.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.8 137.69 29.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.465 ' CD1' HG13 ' A' ' 81' ' ' ILE . 7.0 tp -56.5 -35.84 68.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -65.79 -43.65 88.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? -59.99 -46.82 88.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.613 HD13 ' CD2' ' A' ' 77' ' ' LEU . 9.7 mt -71.22 -23.87 62.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -51.9 68.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.75 ' O ' HG13 ' A' ' 114' ' ' VAL . . . 114.08 16.77 7.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.497 ' O ' ' CD1' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -100.45 4.83 44.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.64 ' HB3' ' SD ' ' A' ' 113' ' ' MET . . . -58.38 147.61 30.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -59.24 122.66 14.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.262 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.71 -5.1 84.95 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.543 1.152 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.64 ' SD ' ' HB3' ' A' ' 110' ' ' ALA . 1.3 ttt -86.83 -31.81 20.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.76 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.75 HG13 ' O ' ' A' ' 108' ' ' GLY . 0.1 OUTLIER -98.22 136.18 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.69 3.38 64.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -153.67 106.97 2.53 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.465 0.744 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.465 ' HA ' ' CD1' ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.01 -49.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.449 1.762 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -77.83 -27.92 50.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.354 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -74.63 -43.19 30.22 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.473 1.108 . . . . 0.0 111.067 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.659 ' CD ' HD13 ' A' ' 49' ' ' LEU . 6.7 pt20 -66.48 -44.41 82.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 0.725 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' A' ' 120' ' ' GLN . . . -57.79 -36.02 71.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.42 -18.11 57.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.983 ' O ' HD23 ' A' ' 123' ' ' LEU . 6.9 tt -80.12 -16.1 55.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.482 HD22 ' HE3' ' A' ' 113' ' ' MET . 0.1 OUTLIER -127.88 127.1 42.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.67 157.16 1.99 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 108.68 2.77 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.552 1.817 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.25 -46.73 0.3 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.577 1.173 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.429 ' CG ' ' HA ' ' A' ' 92' ' ' ALA . 12.4 mt-10 -58.71 -32.58 69.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.81 ' HA ' HD12 ' A' ' 132' ' ' ILE . 0.6 OUTLIER -59.29 -47.04 86.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 64.0 t -58.81 -39.63 77.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.89 -41.3 97.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.81 HD12 ' HA ' ' A' ' 129' ' ' LEU . 5.3 mt -69.18 -38.53 78.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.952 HG23 ' HG2' ' A' ' 44' ' ' MET . 87.8 m -67.03 -41.85 85.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.38 -48.32 61.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.2 m -63.03 -34.05 76.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 110.042 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.78 -43.08 89.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -36.1 83.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.125 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -63.36 -37.36 86.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.439 ' HA ' ' HB1' ' A' ' 72' ' ' ALA . . . -67.61 -29.2 68.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.071 . . . . 0.0 109.355 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.529 ' CZ ' ' CG2' ' A' ' 36' ' ' THR . 2.2 t80 -66.28 -47.97 71.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -63.56 -25.45 68.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -71.48 -42.09 68.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.923 HG22 ' HB3' ' A' ' 68' ' ' LEU . 31.2 t -69.14 -43.43 81.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.06 -19.96 61.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -34.88 70.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -40.6 -89.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.44 100.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 149' ' ' PRO . 0.6 OUTLIER -68.07 138.65 92.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 148' ' ' GLU . 18.3 Cg_endo -75.04 170.57 20.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.496 1.788 . . . . 0.0 111.036 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -103.78 145.29 30.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 154' ' ' ALA . . . 161.1 74.71 0.02 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 155' ' ' ASP . 18.3 Cg_endo -75.04 -46.97 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.432 1.754 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' TRP . . . . . 0.702 ' CZ3' HD11 ' A' ' 180' ' ' LEU . 3.2 p90 -51.95 -28.97 18.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 108.022 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 151' ' ' GLY . . . -63.23 -32.96 74.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 152' ' ' PRO . 1.3 p30 -82.47 -21.05 35.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.609 HD11 ' HB2' ' A' ' 174' ' ' ALA . 40.4 mt -76.37 120.8 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.607 HG23 ' HG2' ' A' ' 196' ' ' LYS . 3.2 m -120.62 130.43 54.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.442 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.576 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 27.9 tp60 -70.39 130.3 41.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -122.7 154.05 16.97 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -17.75 19.25 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.8 -22.17 31.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.67 135.23 44.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.72 138.88 55.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 110.026 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.773 ' CE2' HG23 ' A' ' 219' ' ' ILE . 0.8 OUTLIER -59.74 -39.1 83.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.759 ' CG2' HD11 ' A' ' 223' ' ' LEU . 1.7 t -71.26 -48.5 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.33 -43.32 78.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.601 ' CE2' HD12 ' A' ' 171' ' ' LEU . 90.7 t80 -69.7 -34.98 74.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -61.63 -43.05 99.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -61.0 -46.53 90.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 61.6 mtt-85 -59.78 -37.34 78.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.601 HD12 ' CE2' ' A' ' 167' ' ' PHE . 0.4 OUTLIER -70.44 -47.21 61.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.515 ' CG1' HG21 ' A' ' 189' ' ' ILE . 45.1 mt -59.39 -41.5 84.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -64.31 -36.6 84.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.609 ' HB2' HD11 ' A' ' 156' ' ' ILE . . . -68.83 -52.98 24.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 0.528 HG13 HD12 ' A' ' 180' ' ' LEU . 56.0 t -57.15 -48.16 82.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -53.02 -34.93 58.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . -107.45 34.55 5.6 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.477 1.11 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 52.9 p -123.8 166.18 16.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.776 . . . . 0.0 110.015 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.81 87.69 7.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.702 HD11 ' CZ3' ' A' ' 153' ' ' TRP . 18.1 mt -130.42 154.52 81.58 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.63 ' HD2' ' HB3' ' A' ' 184' ' ' ALA . 18.4 Cg_endo -75.03 164.78 32.63 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.789 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . 0.471 ' O ' ' CB ' ' A' ' 183' ' ' SER . 18.5 Cg_endo -74.97 79.0 2.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 0.0 111.048 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 182' ' ' PRO . 0.6 OUTLIER 161.6 -27.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.63 ' HB3' ' HD2' ' A' ' 181' ' ' PRO . . . -80.61 -11.6 59.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . 0.544 ' O ' ' HB2' ' A' ' 186' ' ' ALA . 22.6 mtm180 -85.41 70.17 10.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.889 ' HB3' ' HD3' ' A' ' 187' ' ' PRO . . . 173.28 -56.66 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' PRO . . . . . 0.889 ' HD3' ' HB3' ' A' ' 186' ' ' ALA . 18.1 Cg_endo -75.04 -32.03 5.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . . . . . . . . . 30.6 t -65.03 -42.44 94.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' ILE . . . . . 0.739 HG22 ' CZ ' ' A' ' 193' ' ' PHE . 42.5 mt -68.15 -45.23 83.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' ILE . . . . . 0.76 HD11 ' C ' ' A' ' 214' ' ' THR . 71.2 mt -63.57 -45.21 98.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 195' ' ' GLN . 36.6 t70 -59.75 -37.41 78.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 192' ' ' CYS . . . . . 0.532 ' HB3' HD11 ' A' ' 171' ' ' LEU . 55.7 m -56.99 -40.97 77.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 108.312 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 193' ' ' PHE . . . . . 0.739 ' CZ ' HG22 ' A' ' 189' ' ' ILE . 9.1 m-30 -64.98 -27.14 68.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 194' ' ' ARG . . . . . 0.515 ' HB3' ' CG2' ' A' ' 205' ' ' ILE . 0.0 OUTLIER -117.79 27.7 8.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 191' ' ' ASP . 4.1 tm0? -119.59 -40.98 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 196' ' ' LYS . . . . . 0.607 ' HG2' HG23 ' A' ' 157' ' ' THR . 0.2 OUTLIER -115.23 -50.36 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 197' ' ' SER . . . . . 0.469 ' CB ' ' HG2' ' A' ' 158' ' ' GLN . 0.7 OUTLIER -37.39 155.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.449 1.093 . . . . 0.0 109.984 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 198' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 197' ' ' SER . 1.2 mp0 -45.19 170.45 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 199' ' ' PRO . . . . . 0.429 ' O ' ' HG3' ' A' ' 202' ' ' GLN . 18.3 Cg_endo -75.02 -32.47 5.33 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -41.37 95.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 7.2 mm -73.44 -46.08 50.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' GLN . . . . . 0.562 ' HG3' ' N ' ' A' ' 203' ' ' GLN . 0.0 OUTLIER -62.24 -36.15 81.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 203' ' ' GLN . . . . . 0.562 ' N ' ' HG3' ' A' ' 202' ' ' GLN . 3.7 mm100 -64.57 -34.59 78.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.632 HD21 ' CB ' ' A' ' 225' ' ' ARG . 0.3 OUTLIER -64.93 -49.96 68.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.553 ' O ' ' HB3' ' A' ' 208' ' ' ALA . 0.3 OUTLIER -63.51 -46.36 95.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 206' ' ' ARG . . . . . 0.431 ' NH1' ' OE1' ' A' ' 203' ' ' GLN . 0.0 OUTLIER -61.6 -33.51 74.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 207' ' ' ALA . . . . . . . . . . . . . . . -88.12 -6.17 58.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 208' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 205' ' ' ILE . . . -61.78 159.74 32.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . 0.571 ' HB2' HG22 ' A' ' 211' ' ' THR . 18.2 Cg_endo -74.95 148.59 35.74 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 210' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -8.45 31.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.977 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 211' ' ' THR . . . . . 0.961 HG23 HD23 ' A' ' 212' ' ' LEU . 13.0 t -73.97 -13.23 60.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 212' ' ' LEU . . . . . 0.961 HD23 HG23 ' A' ' 211' ' ' THR . 0.6 OUTLIER -112.62 133.04 54.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . 0.809 HG23 ' O ' ' A' ' 212' ' ' LEU . 1.1 p -163.27 34.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.439 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 214' ' ' THR . . . . . 0.76 ' C ' HD11 ' A' ' 190' ' ' ILE . 1.8 p -129.89 155.4 80.59 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.42 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.09 3.85 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.475 1.776 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -162.72 -61.53 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.534 1.147 . . . . 0.0 111.018 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' A' ' 217' ' ' GLU . 2.7 mp0 -61.97 -33.24 73.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 218' ' ' ILE . . . . . 0.466 HG12 ' CG2' ' A' ' 190' ' ' ILE . 1.1 mp -62.15 -42.42 95.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 219' ' ' ILE . . . . . 0.773 HG23 ' CE2' ' A' ' 164' ' ' PHE . 3.9 mt -75.49 -48.74 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 220' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.27 -34.71 64.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.449 ' CE2' ' HB2' ' A' ' 208' ' ' ALA . 11.4 t80 -74.26 -46.07 43.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.432 HG22 ' HB3' ' A' ' 204' ' ' LEU . 4.0 t -60.61 -42.3 91.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.759 HD11 ' CG2' ' A' ' 165' ' ' VAL . 93.6 mt -67.12 -36.49 82.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.587 1.18 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 224' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.99 -38.16 85.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.36 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 225' ' ' ARG . . . . . 0.632 ' CB ' HD21 ' A' ' 204' ' ' LEU . 0.8 OUTLIER -75.83 -36.89 59.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 226' ' ' GLN . . . . . 0.501 HE21 HD23 ' A' ' 223' ' ' LEU . 12.9 mt-30 -52.67 -56.0 18.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -77.12 143.52 39.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 228' ' ' ILE . . . . . 0.636 ' O ' ' HB2' ' A' ' 229' ' ' ALA . 2.0 mp 64.14 162.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 229' ' ' ALA . . . . . 0.838 ' HB3' ' HD3' ' A' ' 230' ' ' PRO . . . 167.04 -53.99 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 230' ' ' PRO . . . . . 0.838 ' HD3' ' HB3' ' A' ' 229' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 stop_ save_