data_1yuf_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 1yuf _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -135.55 178.2 7.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -153.89 -87.62 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.32 101.83 2.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.582 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -72.29 -48.92 9.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 108.281 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 8' ' ' CYS . 18.1 Cg_endo -75.03 129.08 11.98 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' A' ' 11' ' ' SER . 5.0 m-20 -167.15 35.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' A' ' 10' ' ' ASP . 1.4 m 88.13 -42.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 110.047 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.426 ' CD2' ' HG3' ' A' ' 30' ' ' PRO . 76.4 m-70 -70.08 -7.39 40.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.56 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -10.88 14.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.416 ' CG ' ' O ' ' A' ' 14' ' ' GLN . 2.5 tp-100 -77.17 2.03 16.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.421 ' HA ' ' NH1' ' A' ' 42' ' ' ARG . 7.2 m-85 -86.95 19.41 3.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 1.232 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -150.88 131.59 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 108.309 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' A' ' 44' ' ' GLU . 25.9 t80 -82.71 -41.02 19.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.765 ' CD2' ' CZ ' ' A' ' 38' ' ' TYR . 14.8 t60 -170.85 78.65 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.603 1.189 . . . . 0.0 109.611 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.421 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -157.97 -167.25 18.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.562 1.164 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -73.54 152.13 40.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 0.785 . . . . 0.0 110.416 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.444 ' C ' ' CG ' ' A' ' 22' ' ' ARG . 4.2 t -127.8 140.49 52.01 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.502 1.126 . . . . 0.0 108.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.444 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 0.7 OUTLIER -156.83 118.09 3.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.407 ' O ' ' CB ' ' A' ' 5' ' ' PHE . 82.7 t80 -115.8 115.89 27.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 111.045 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 27' ' ' GLU . 1.3 tp -74.75 101.12 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.509 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.8 OUTLIER -57.21 -83.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.348 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 25' ' ' VAL . 13.2 mt-30 -34.82 -35.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.63 ' O ' ' C ' ' A' ' 28' ' ' ASP . 2.3 mt-10 -115.66 52.83 0.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.63 ' C ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -18.35 95.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' GLU . 14.5 mttm -154.21 97.71 2.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.426 ' HG3' ' CD2' ' A' ' 12' ' ' HIS . 18.3 Cg_endo -75.05 119.9 5.83 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.503 1.791 . . . . 0.0 110.942 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -155.66 117.86 4.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 1.232 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -109.61 128.41 55.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 108.349 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 45.8 t -81.92 164.46 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 109.365 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.464 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 1.5 t -65.33 -155.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 108.236 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.502 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -131.31 -76.33 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.579 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.7 t 159.26 145.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.051 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.53 16.22 43.24 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.426 1.079 . . . . 0.0 111.034 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.765 ' CZ ' ' CD2' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -105.67 -168.56 1.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 0.793 . . . . 0.0 110.981 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.551 ' CG2' ' N ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -160.97 173.59 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.26 160.39 14.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.56 -39.54 73.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.492 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -123.71 16.48 9.49 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 5.8 m 87.08 35.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 108.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.585 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 30.5 mm-40 -74.82 -38.62 62.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.445 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 1.1 m80 -88.92 161.81 16.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.578 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 47' ' ' ASP . . . -126.79 105.16 8.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.551 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.529 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.383 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.568 ' CG ' ' O ' ' A' ' 5' ' ' PHE . 77.2 t80 36.87 39.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.422 ' C ' ' N ' ' A' ' 8' ' ' CYS . 3.2 t-20 -159.05 166.01 32.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 48.1 23.31 0.5 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.409 1.068 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 1.34 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -51.21 177.35 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 108.296 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 8' ' ' CYS . 18.3 Cg_endo -75.03 -168.4 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.591 ' O ' ' CB ' ' A' ' 11' ' ' SER . 30.2 t0 -107.01 65.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.591 ' CB ' ' O ' ' A' ' 10' ' ' ASP . 2.3 t 92.29 -39.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -42.11 -27.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.608 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.469 ' N ' ' HG2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -46.79 -84.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.677 ' C ' ' CG ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -107.51 3.64 25.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 0.0 110.275 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.677 ' CG ' ' C ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER 68.73 114.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 1.201 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -146.92 170.19 17.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.334 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.557 ' CG ' ' HB2' ' A' ' 44' ' ' GLU . 4.1 m-85 -109.47 -23.11 11.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.578 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 3.2 t-160 -176.08 80.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 109.639 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.421 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -158.6 167.23 34.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -74.89 124.86 27.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 0.778 . . . . 0.0 110.369 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 1.34 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -81.93 144.11 31.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 108.301 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.428 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -162.62 110.24 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 25' ' ' VAL . 0.3 OUTLIER -104.56 104.44 14.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 111.064 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.468 ' CD1' ' HG3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -67.95 68.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.529 ' CG1' ' HA ' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -41.55 -42.6 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.468 ' HG3' ' CD1' ' A' ' 24' ' ' LEU . 5.2 mt-30 -43.33 -43.59 5.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 28' ' ' ASP . 8.0 mt-10 -118.67 14.26 13.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' LEU . 9.4 t70 37.77 67.66 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.598 1.186 . . . . 0.0 109.363 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -135.61 119.15 12.8 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.447 ' HB2' ' CA ' ' A' ' 14' ' ' GLN . 18.3 Cg_endo -75.02 131.17 13.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 0.0 111.061 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -163.12 132.05 4.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.228 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 1.201 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 24.5 p -133.18 131.6 40.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.307 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 20' ' ' THR . 5.3 t -80.54 157.52 4.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -60.16 -169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 108.36 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -148.69 -86.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.567 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.57 ' OG ' ' CE2' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -70.92 61.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.083 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 36' ' ' SER . . . 34.55 41.01 0.21 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 18' ' ' HIS . 51.1 m-85 -72.0 -159.8 0.05 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 0.769 . . . . 0.0 110.98 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.421 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 11.2 t -73.12 -124.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.374 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' ALA . . . -148.59 -52.21 0.02 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' GLY . . . -38.19 -89.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 0.786 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -96.22 -11.71 25.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.1 m 61.03 31.24 19.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 108.281 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.557 ' HB2' ' CG ' ' A' ' 17' ' ' PHE . 16.6 pt-20 -92.58 -33.1 14.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.71 162.34 14.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.571 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.01 105.34 16.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.638 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -118.53 92.18 3.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 111.019 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 7' ' ' ASP . 0.3 OUTLIER -100.56 -77.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 8' ' ' CYS . 2.1 m-20 -50.67 -179.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.571 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER 158.44 -49.75 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 108.26 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 8' ' ' CYS . 18.4 Cg_endo -74.95 123.39 7.87 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 111.048 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.414 ' O ' ' CB ' ' A' ' 11' ' ' SER . 5.2 m-20 -107.97 44.78 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.605 1.191 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.438 ' C ' ' CG ' ' A' ' 12' ' ' HIS . 2.3 p 80.34 25.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 110.034 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.438 ' CG ' ' C ' ' A' ' 11' ' ' SER . 0.0 OUTLIER 52.44 95.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.693 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.514 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 11.6 p -106.05 -63.36 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.403 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.514 ' CG ' ' O ' ' A' ' 13' ' ' THR . 5.4 mt-30 -170.61 37.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.32 -36.39 3.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -161.36 133.4 5.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 108.32 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.486 ' CB ' ' HA ' ' A' ' 44' ' ' GLU . 0.1 OUTLIER -122.03 -18.32 6.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.66 ' NE2' ' CG ' ' A' ' 38' ' ' TYR . 33.7 p-80 -158.77 65.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.576 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -162.53 179.52 37.78 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.479 1.112 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -76.08 154.38 35.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 110.396 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -120.53 140.38 51.55 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.599 1.187 . . . . 0.0 108.329 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.415 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 1.4 mtt-85 -155.1 109.35 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -111.31 107.81 17.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.574 HD13 ' CD1' ' A' ' 5' ' ' PHE . 1.7 tp -75.1 70.39 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -43.55 -46.3 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.192 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.446 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -45.73 -33.07 2.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.43 1.081 . . . . 0.0 110.243 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 28' ' ' ASP . 0.3 OUTLIER -124.88 17.81 8.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.27 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' GLU . 76.6 m-20 35.69 53.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -114.75 93.16 32.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 120.72 6.2 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.526 1.803 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -158.3 125.03 4.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.404 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -112.18 129.15 56.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 108.259 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 20' ' ' THR . 51.1 t -81.38 149.21 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.226 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.443 ' SG ' ' OH ' ' A' ' 38' ' ' TYR . 98.2 m -66.51 -170.22 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 108.275 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.569 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -126.17 -85.16 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.56 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.7 p 153.57 161.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 110.029 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.81 27.9 61.93 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.538 1.149 . . . . 0.0 111.039 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.66 ' CG ' ' NE2' ' A' ' 18' ' ' HIS . 38.8 p90 -137.12 -156.75 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.771 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.604 ' O ' ' CE2' ' A' ' 38' ' ' TYR . 2.1 t -92.33 -142.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.343 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 41' ' ' ALA . . . -146.87 137.46 6.72 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 40' ' ' GLY . . . 159.6 -80.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.406 ' C ' ' SG ' ' A' ' 43' ' ' CYS . 3.8 mpp_? -133.32 6.13 3.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.607 ' C ' ' CE1' ' A' ' 18' ' ' HIS . 0.3 OUTLIER 72.06 43.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 108.317 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.486 ' HA ' ' CB ' ' A' ' 17' ' ' PHE . 9.3 tt0 -115.76 -28.95 6.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.608 1.192 . . . . 0.0 110.303 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.49 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 3.2 m170 -109.48 144.66 37.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.57 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.421 ' HA ' ' HB2' ' A' ' 38' ' ' TYR . . . -141.46 123.7 15.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 t70 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.923 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.433 ' HB3' ' CG ' ' A' ' 26' ' ' GLN . 2.6 t-160 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -117.4 163.87 15.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 7' ' ' ASP . 63.2 t30 -140.91 -65.1 0.45 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.6 ' OD2' ' CD2' ' A' ' 23' ' ' PHE . 5.9 m-20 -59.86 -153.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.486 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER 170.01 -54.33 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 108.309 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.524 ' HA ' ' CZ ' ' A' ' 15' ' ' PHE . 18.5 Cg_endo -74.92 127.8 11.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.577 1.83 . . . . 0.0 111.025 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.411 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.2 OUTLIER -127.83 24.35 6.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 109.353 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 p 64.72 65.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 59.81 95.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.593 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 14' ' ' GLN . 0.5 OUTLIER 178.95 133.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 13' ' ' THR . 40.6 mt-30 36.45 41.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.524 ' CZ ' ' HA ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -101.78 -162.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 111.039 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -155.19 143.75 20.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.405 1.066 . . . . 0.0 108.338 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -28.32 69.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.797 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -169.2 71.78 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.616 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 33' ' ' VAL . . . -132.15 -142.76 5.0 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.068 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -124.3 99.09 6.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 0.745 . . . . 0.0 110.448 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.434 ' C ' ' CG ' ' A' ' 22' ' ' ARG . 17.4 p -73.23 136.85 44.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 108.308 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.434 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 2.1 mtt-85 -155.53 111.09 3.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.6 ' CD2' ' OD2' ' A' ' 7' ' ' ASP . 71.1 t80 -92.04 111.15 22.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -67.42 72.48 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -39.99 -40.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.463 ' HB2' ' CD1' ' A' ' 24' ' ' LEU . 17.0 mt-30 -43.82 -44.77 7.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.34 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.9 mp0 -118.04 8.34 12.45 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.456 1.097 . . . . 0.0 110.366 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.586 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 0.0 OUTLIER 44.18 72.27 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.079 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.471 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 2.6 mtpp -145.34 129.18 8.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 119.08 5.5 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.538 1.809 . . . . 0.0 111.042 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.94 112.38 5.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -101.03 -173.81 2.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 108.314 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 20' ' ' THR . 42.5 t -150.55 151.23 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.472 ' SG ' ' CD2' ' A' ' 38' ' ' TYR . 1.3 m -62.98 169.47 3.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 108.264 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.505 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -119.49 -40.75 2.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.647 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.9 p 159.49 144.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.392 1.057 . . . . 0.0 109.968 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.13 56.21 19.47 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.663 ' OH ' ' CD2' ' A' ' 18' ' ' HIS . 4.0 m-85 -131.97 -176.73 4.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 0.784 . . . . 0.0 111.065 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.4 ' CG2' ' N ' ' A' ' 47' ' ' ASP . 86.7 t -94.99 -99.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.361 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -174.23 44.75 0.14 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.421 1.076 . . . . 0.0 111.063 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -134.71 -107.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 0.724 . . . . 0.0 109.385 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -90.04 -1.33 57.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.617 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 79.2 m 71.18 45.03 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 108.23 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -104.96 -40.16 6.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -104.38 160.31 15.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.549 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.6 ' HA ' ' HA ' ' A' ' 38' ' ' TYR . . . -110.77 100.23 9.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.581 ' CG ' ' HB3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.636 ' CD2' ' HG ' ' A' ' 24' ' ' LEU . 1.6 m-85 -133.83 97.72 3.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.46 ' O ' ' C ' ' A' ' 7' ' ' ASP . 0.7 OUTLIER -111.58 -151.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.516 ' HB2' ' CB ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER 36.29 -150.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.558 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER 166.91 -50.42 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 108.277 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 8' ' ' CYS . 18.3 Cg_endo -74.97 119.94 5.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.03 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.456 ' OD2' ' CA ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -104.78 -8.2 18.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 12' ' ' HIS . 0.4 OUTLIER 38.17 77.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.979 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.578 ' O ' ' CB ' ' A' ' 13' ' ' THR . 2.8 t-160 89.63 168.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.615 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.578 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER 88.32 -37.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 110.393 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 13' ' ' THR . 2.0 mt-30 -175.72 -96.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.478 ' CE1' ' O ' ' A' ' 8' ' ' CYS . 3.0 t80 45.71 -173.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 1.203 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -124.82 -175.57 3.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.258 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.598 ' CZ ' ' OE2' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -112.84 -41.91 3.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.71 ' CD2' ' CZ ' ' A' ' 38' ' ' TYR . 30.5 p-80 -151.02 62.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.566 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.417 ' HA2' ' CG ' ' A' ' 35' ' ' HIS . . . -150.44 -166.26 13.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 33' ' ' VAL . 0.8 OUTLIER -75.11 154.75 37.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 0.779 . . . . 0.0 110.318 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.446 ' C ' ' CG ' ' A' ' 22' ' ' ARG . 5.5 p -139.44 137.71 35.85 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.52 1.138 . . . . 0.0 108.267 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.446 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 4.5 mtt-85 -157.17 101.45 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.516 ' CB ' ' HB2' ' A' ' 7' ' ' ASP . 1.6 t80 -80.12 117.16 20.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.636 ' HG ' ' CD2' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -73.83 86.29 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.492 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -56.51 -48.94 79.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.581 ' HB3' ' CG ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -49.82 -34.03 18.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.517 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 2.7 mm-40 -109.09 10.78 25.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 110.357 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 24' ' ' LEU . 5.7 m-20 35.87 45.61 0.29 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 3.4 mmmt -135.75 129.19 18.23 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.401 1.063 . . . . 0.0 109.386 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 119.2 5.55 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.514 1.797 . . . . 0.0 111.035 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -130.29 95.94 4.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 1.203 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -97.36 147.61 24.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.279 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' THR . 68.1 t -108.93 157.73 9.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.99 176.31 8.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 108.256 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.417 ' CG ' ' HA2' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -103.7 -3.11 25.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.624 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t 74.96 133.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.969 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.92 14.76 30.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.71 ' CZ ' ' CD2' ' A' ' 18' ' ' HIS . 11.0 m-30 -110.77 -163.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 0.797 . . . . 0.0 111.078 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.448 ' CG1' ' N ' ' A' ' 40' ' ' GLY . 50.7 t -78.52 -97.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.448 ' N ' ' CG1' ' A' ' 39' ' ' VAL . . . 170.49 40.73 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.09 -84.02 0.56 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.74 . . . . 0.0 109.389 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -127.85 2.32 6.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 8.8 m 82.65 69.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.289 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.598 ' OE2' ' CZ ' ' A' ' 17' ' ' PHE . 4.9 tt0 -144.32 -42.9 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.266 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.16 157.66 18.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.569 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.43 110.56 14.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 t0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.942 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.548 ' CD1' ' HB2' ' A' ' 22' ' ' ARG . 12.2 p90 -106.88 151.19 25.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -138.75 -90.86 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.411 ' O ' ' CB ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -88.03 147.66 24.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.2 p -130.94 141.61 42.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 108.297 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.572 ' HD3' ' CD2' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.02 -97.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.45 1.763 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.533 ' HB3' ' CE2' ' A' ' 15' ' ' PHE . 1.5 p30 156.57 46.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -52.04 -173.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.943 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -91.12 30.52 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.621 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.538 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 1.5 t -86.39 18.21 3.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER 89.12 -22.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.558 ' CE1' ' SG ' ' A' ' 21' ' ' CYS . 1.6 t80 31.48 -145.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 110.968 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 1.288 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -150.01 154.35 38.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 108.316 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.572 ' CG ' ' HB3' ' A' ' 44' ' ' GLU . 8.7 m-85 -94.56 -32.25 13.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.963 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 3.5 t-160 -163.5 69.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.59 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.99 -175.64 15.56 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -77.15 106.62 8.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.745 . . . . 0.0 110.417 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.558 ' SG ' ' CE1' ' A' ' 15' ' ' PHE . 4.1 t -92.77 142.18 27.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 108.249 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.548 ' HB2' ' CD1' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -157.72 108.73 2.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 0.0 110.341 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.572 ' CD2' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -87.68 107.88 18.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.997 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 28' ' ' ASP . 1.4 mt -72.87 75.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.485 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -46.82 -49.15 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.485 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -54.47 -26.71 32.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 28' ' ' ASP . 3.0 tp10 -108.2 2.79 23.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.591 1.182 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER 37.12 60.7 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.26 123.94 1.99 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 124.73 8.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.46 ' O ' ' CG ' ' A' ' 22' ' ' ARG . . . -146.38 122.46 10.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.172 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 1.288 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 31.0 p -116.25 -170.6 1.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 108.314 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 20' ' ' THR . 53.6 t -152.34 149.17 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 39' ' ' VAL . 12.5 t -52.94 167.91 0.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 108.257 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -107.86 150.81 26.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.524 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.41 132.73 49.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.602 1.189 . . . . 0.0 109.965 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.37 56.35 14.05 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.562 1.164 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.614 ' CD2' ' O ' ' A' ' 45' ' ' HIS . 0.1 OUTLIER -144.11 -160.58 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 111.004 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.403 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 13.6 m -98.95 -157.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -120.06 -148.65 8.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.121 . . . . 0.0 110.956 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 57.81 -91.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.94 -12.6 13.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.348 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.1 m 68.17 49.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 108.367 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.572 ' HB3' ' CG ' ' A' ' 17' ' ' PHE . 2.7 pm0 -93.16 -25.1 18.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.572 1.17 . . . . 0.0 110.272 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.614 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 3.0 m170 -107.2 160.36 15.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.646 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -111.35 103.88 12.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.403 ' OD2' ' O ' ' A' ' 38' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.462 ' N ' HE21 ' A' ' 26' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.605 ' CZ ' ' O ' ' A' ' 6' ' ' ASN . 0.2 OUTLIER -103.62 165.46 11.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.605 ' O ' ' CZ ' ' A' ' 5' ' ' PHE . 2.6 m-80 -140.7 -88.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.58 164.52 19.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -111.38 103.41 54.97 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 108.264 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 10' ' ' ASP . 18.2 Cg_endo -75.08 -172.98 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -39.39 -44.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 20.0 t -38.87 158.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.612 ' CD2' ' SG ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER 82.71 -48.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.581 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.577 ' N ' ' CD2' ' A' ' 12' ' ' HIS . 73.0 p 48.8 -89.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.357 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 12' ' ' HIS . 2.4 mp0 -93.79 -104.34 0.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.476 ' CB ' ' O ' ' A' ' 14' ' ' GLN . 0.4 OUTLIER 73.82 -3.01 2.61 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.524 1.14 . . . . 0.0 110.956 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -165.01 143.24 6.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 108.277 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.622 ' CD2' ' O ' ' A' ' 44' ' ' GLU . 1.3 m-85 -69.41 -30.04 67.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.792 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -177.52 80.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.598 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -146.89 -172.09 16.81 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.55 168.95 19.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 110.418 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.612 ' SG ' ' CD2' ' A' ' 12' ' ' HIS . 44.3 t -126.18 148.74 49.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 108.279 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.11 137.92 14.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.255 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -129.25 109.23 10.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.494 ' CD2' ' OE1' ' A' ' 26' ' ' GLN . 2.0 tp -77.17 81.82 3.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.427 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -42.74 -45.01 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.494 ' OE1' ' CD2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -50.0 -40.5 44.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' ASP . 10.0 mt-10 -100.62 4.35 43.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 27' ' ' GLU . 46.7 t0 36.63 48.64 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -140.05 139.08 20.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 148.84 36.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.561 1.822 . . . . 0.0 111.074 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.45 109.38 1.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.602 1.189 . . . . 0.0 109.23 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -96.8 167.19 11.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 108.303 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.6 t -131.9 156.54 42.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 m -64.85 -177.53 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 108.323 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -125.12 12.41 8.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.566 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 p 79.14 143.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.9 29.95 62.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.638 ' OH ' ' CD2' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -105.35 -175.83 2.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 0.746 . . . . 0.0 111.063 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.493 ' CG2' ' C ' ' A' ' 38' ' ' TYR . 1.9 t -153.71 -142.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 38.25 -129.02 1.69 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 42' ' ' ARG . . . -147.23 146.25 29.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER 75.97 -1.15 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.621 ' HB3' ' CD2' ' A' ' 38' ' ' TYR . 9.6 m 81.25 18.41 0.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 108.269 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.622 ' O ' ' CD2' ' A' ' 17' ' ' PHE . 34.1 mt-10 -68.31 -52.3 35.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.488 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 5.1 m170 -88.05 169.55 11.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.53 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -151.89 147.14 26.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.459 ' N ' HG21 ' A' ' 39' ' ' VAL . 2.1 p-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.407 1.067 . . . . 0.0 109.351 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.453 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 2.2 p-80 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -86.47 140.51 29.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.806 ' ND2' ' H ' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -153.37 -94.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.806 ' H ' ' ND2' ' A' ' 6' ' ' ASN . 17.7 m-20 -86.0 1.05 51.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.647 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 21.2 p 42.71 52.7 8.01 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 108.274 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.647 ' HD3' ' N ' ' A' ' 8' ' ' CYS . 18.4 Cg_endo -74.98 138.0 22.51 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.459 1.768 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.565 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 1.3 p30 150.11 31.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 10' ' ' ASP . 4.9 t 60.52 138.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.562 ' HB3' ' CD1' ' A' ' 15' ' ' PHE . 25.2 m80 73.77 8.75 4.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.613 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 12' ' ' HIS . 72.5 p -34.82 -71.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.478 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 32' ' ' CYS . 35.9 mt-30 -44.95 -70.6 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 110.387 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 12' ' ' HIS . 0.0 OUTLIER 67.04 10.15 7.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 1.172 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -146.44 121.11 9.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 108.26 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -72.91 -1.87 18.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.645 ' CG ' ' CZ ' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -169.8 67.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.571 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.468 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -171.39 179.17 43.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -89.5 172.04 9.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 110.371 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 13' ' ' THR . 15.2 t -126.28 146.89 49.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 108.314 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 31' ' ' ALA . 11.0 ttt180 -153.06 123.34 7.09 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.596 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 43.2 t80 -140.52 109.79 6.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' ASP . 9.8 tp -76.25 79.89 3.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -41.68 -40.57 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.34 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.427 ' CG ' ' HA ' ' A' ' 4' ' ' HIS . 6.5 mt-30 -44.77 -44.79 9.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 28' ' ' ASP . 2.1 mm-40 -119.78 17.1 12.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 110.285 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.596 ' HA ' ' CZ ' ' A' ' 23' ' ' PHE . 71.4 m-20 38.2 66.79 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.5 mtmm -118.17 95.63 48.65 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.578 1.173 . . . . 0.0 109.307 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 123.19 7.74 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.542 1.812 . . . . 0.0 111.056 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 22' ' ' ARG . . . -162.38 112.75 1.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 1.172 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -98.16 149.6 22.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 108.319 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 69.6 t -108.1 167.03 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 109.298 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.466 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 4.1 t -77.79 174.85 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 108.342 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.538 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -109.51 -77.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.069 . . . . 0.0 109.624 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.7 p 156.76 148.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.988 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.495 ' C ' ' CD1' ' A' ' 38' ' ' TYR . . . 92.26 17.02 48.22 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.127 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.645 ' CZ ' ' CG ' ' A' ' 18' ' ' HIS . 1.2 m-85 -137.96 -158.91 0.9 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.519 0.776 . . . . 0.0 111.048 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.485 ' O ' ' C ' ' A' ' 40' ' ' GLY . 2.8 t -153.28 -46.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.485 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -30.65 140.3 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.105 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.63 -53.66 29.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.584 0.814 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.458 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -79.28 -14.46 59.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 7.2 m 84.46 56.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 108.376 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -114.17 -32.62 5.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 110.353 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -100.67 148.58 24.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.606 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.35 89.68 4.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.468 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 3.4 t70 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.571 ' CD2' ' HB3' ' A' ' 5' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.571 ' HB3' ' CD2' ' A' ' 4' ' ' HIS . 1.8 t80 42.33 87.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -96.21 -152.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 8' ' ' CYS . 1.2 m-20 -76.89 -0.6 24.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 7' ' ' ASP . 1.7 t 57.78 106.72 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.341 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 10' ' ' ASP . 18.3 Cg_endo -75.01 179.03 6.49 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.445 1.761 . . . . 0.0 110.976 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.497 ' O ' ' C ' ' A' ' 11' ' ' SER . 3.4 m-20 -39.17 -66.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.497 ' C ' ' O ' ' A' ' 10' ' ' ASP . 94.5 p 31.65 -96.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 0.0 110.039 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.68 ' CE1' ' CE2' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -76.99 89.88 3.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 109.544 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.444 ' C ' ' N ' ' A' ' 15' ' ' PHE . 1.2 p -88.06 -166.96 1.73 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.504 ' CA ' ' NH2' ' A' ' 42' ' ' ARG . 2.1 mt-30 40.3 27.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 0.0 110.319 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.444 ' N ' ' C ' ' A' ' 13' ' ' THR . 1.2 t80 -111.73 -17.42 12.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 1.281 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -162.25 107.65 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 108.357 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.481 ' CD2' ' HG3' ' A' ' 44' ' ' GLU . 0.1 OUTLIER -73.98 -15.54 61.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.469 ' CE1' ' OH ' ' A' ' 38' ' ' TYR . 4.5 t-160 -168.43 71.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.579 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.506 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -156.91 178.6 33.24 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.473 ' CB ' ' HB ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -82.86 171.47 13.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 0.784 . . . . 0.0 110.391 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.6 t -129.73 141.43 50.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.102 . . . . 0.0 108.279 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.509 ' HB3' ' CE1' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -149.32 109.11 4.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.68 ' CE2' ' CE1' ' A' ' 12' ' ' HIS . 0.8 OUTLIER -114.13 103.54 11.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 25' ' ' VAL . 1.7 tp -68.85 67.78 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -40.17 -40.83 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.37 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.548 ' HG3' ' CD2' ' A' ' 4' ' ' HIS . 1.5 mt-30 -44.92 -42.15 7.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -119.66 17.23 12.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 27' ' ' GLU . 10.3 t70 37.69 63.36 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.252 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -127.05 114.8 21.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.573 ' HB3' ' CE1' ' A' ' 12' ' ' HIS . 18.3 Cg_endo -75.01 129.29 12.19 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.548 1.815 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.88 98.29 1.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 1.281 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.6 OUTLIER -96.71 145.83 25.43 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 108.242 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.473 ' HB ' ' CB ' ' A' ' 20' ' ' THR . 16.2 t -79.43 136.03 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -81.25 3.61 23.34 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.444 1.09 . . . . 0.0 108.277 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.506 ' HB2' ' HA2' ' A' ' 19' ' ' GLY . 0.1 OUTLIER 63.2 65.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.582 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 35' ' ' HIS . 0.6 OUTLIER -32.8 123.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.96 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.81 -8.47 5.5 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.078 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.469 ' OH ' ' CE1' ' A' ' 18' ' ' HIS . 4.4 m-85 -101.68 -170.17 1.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 0.746 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' ' 40' ' ' GLY . 45.6 t -155.28 -38.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.5 ' O ' ' C ' ' A' ' 41' ' ' ALA . . . -30.49 150.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.5 ' C ' ' O ' ' A' ' 40' ' ' GLY . . . -32.83 -78.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 0.728 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.535 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -66.16 -62.48 1.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 1.0 OUTLIER 156.85 52.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 108.256 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.481 ' HG3' ' CD2' ' A' ' 17' ' ' PHE . 0.6 OUTLIER -111.79 -40.37 4.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.252 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -80.58 164.17 23.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 109.602 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 38' ' ' TYR . . . -139.82 119.57 13.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.448 ' HB2' ' CG2' ' A' ' 39' ' ' VAL . 16.0 t0 . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.422 1.076 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.583 ' O ' ' CD2' ' A' ' 5' ' ' PHE . 1.5 t60 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.746 ' CZ ' ' CD2' ' A' ' 24' ' ' LEU . 0.3 OUTLIER 160.81 106.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 5' ' ' PHE . 25.5 m120 -159.52 -111.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.0 106.09 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.596 1.185 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.554 ' HA ' ' HB3' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -86.28 -55.08 0.39 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 108.247 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 8' ' ' CYS . 18.2 Cg_endo -75.0 104.6 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.466 1.771 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.585 ' O ' ' CB ' ' A' ' 11' ' ' SER . 3.5 m-20 -162.04 22.71 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.585 ' CB ' ' O ' ' A' ' 10' ' ' ASP . 1.6 m 151.17 98.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.585 ' CG ' ' O ' ' A' ' 11' ' ' SER . 5.3 m170 92.21 9.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 109.638 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.427 ' HB ' ' CB ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -41.53 -24.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 110.485 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.474 ' N ' ' C ' ' A' ' 12' ' ' HIS . 1.6 mt-30 -81.95 27.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.245 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -89.87 10.73 22.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.963 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 1.204 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -153.81 114.84 4.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 108.283 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.605 ' CE2' ' CD ' ' A' ' 44' ' ' GLU . 62.0 m-85 -52.07 -47.67 65.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -167.27 79.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.553 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.474 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -142.58 -177.06 17.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' ' CB ' ' A' ' 32' ' ' CYS . 1.9 m -78.53 152.41 31.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 0.729 . . . . 0.0 110.383 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -101.14 135.64 42.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.401 1.063 . . . . 0.0 108.321 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -154.74 93.31 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.236 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.554 ' HB3' ' HA ' ' A' ' 8' ' ' CYS . 3.4 t80 -132.11 118.79 20.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.061 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.746 ' CD2' ' CZ ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -83.97 104.29 13.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.362 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.554 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER -49.87 -54.11 8.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.179 . . . . 0.0 109.344 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.554 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 9.8 mm-40 -57.89 -17.78 18.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.073 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.567 ' O ' ' C ' ' A' ' 28' ' ' ASP . 2.8 tp10 -114.86 4.72 14.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' A' ' 24' ' ' LEU . 1.3 p30 26.69 47.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -119.95 100.8 48.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.602 1.189 . . . . 0.0 109.252 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.463 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.1 132.71 15.59 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -162.37 118.15 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 1.204 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.6 OUTLIER -115.9 122.44 45.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.107 . . . . 0.0 108.34 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.513 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER -82.0 177.16 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.513 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 0.6 OUTLIER -64.06 -167.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 108.363 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.474 ' HB2' ' HA2' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -137.23 32.77 2.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.659 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.21 89.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.07 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.614 ' C ' ' CD1' ' A' ' 38' ' ' TYR . . . 147.34 40.85 0.04 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.614 ' CD1' ' C ' ' A' ' 37' ' ' GLY . 83.1 m-85 -158.86 -171.54 3.45 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.58 0.812 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 40' ' ' GLY . 73.6 t -86.78 -103.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.45 ' N ' ' CG1' ' A' ' 39' ' ' VAL . . . -140.34 -173.7 13.5 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 40' ' ' GLY . . . 80.45 -133.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 0.732 . . . . 0.0 109.337 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.37 12.71 7.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 75.79 38.16 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 108.277 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.605 ' CD ' ' CE2' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -89.13 -39.22 13.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.0 m170 -81.59 161.62 23.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.591 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.415 ' N ' HG22 ' A' ' 39' ' ' VAL . . . -138.23 113.25 9.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.0 t0 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.127 . . . . 0.0 109.272 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.54 ' O ' ' CD2' ' A' ' 5' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.659 ' CE1' ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER 177.63 161.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 111.035 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.433 ' ND2' ' CD2' ' A' ' 23' ' ' PHE . 0.8 OUTLIER -145.97 -174.2 4.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.52 159.52 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 0.0 109.29 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.415 ' SG ' ' C ' ' A' ' 21' ' ' CYS . 7.8 p -122.46 98.78 43.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 0.0 108.308 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 178.9 6.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.53 1.805 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -91.26 -63.34 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 13' ' ' THR . 60.1 p 35.98 35.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.027 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.509 ' O ' ' CG2' ' A' ' 13' ' ' THR . 34.3 m170 48.98 -93.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.573 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 12' ' ' HIS . 6.8 t 47.52 21.27 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.413 ' N ' ' C ' ' A' ' 12' ' ' HIS . 14.0 mt-30 66.28 55.95 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.345 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -83.55 -155.21 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.176 . . . . 0.0 110.994 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.447 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -110.24 125.27 52.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 0.0 108.32 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.591 ' CD1' ' CD ' ' A' ' 44' ' ' GLU . 0.4 OUTLIER -60.36 -24.13 64.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 111.031 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.596 ' CD2' ' OH ' ' A' ' 38' ' ' TYR . 1.7 t-160 -164.65 72.46 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.589 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.467 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -153.24 -170.6 19.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.421 1.075 . . . . 0.0 111.06 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.442 ' HG1' ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -78.27 158.87 28.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 110.391 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.491 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 24.2 p -138.3 145.73 41.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 108.292 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -156.27 120.07 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.541 ' C ' ' CE1' ' A' ' 5' ' ' PHE . 6.5 t80 -109.48 101.25 10.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.172 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.659 ' N ' ' CE1' ' A' ' 5' ' ' PHE . 0.4 OUTLIER -66.61 78.66 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.369 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -39.81 -48.12 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.467 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 27.0 mt-30 -37.19 -45.85 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.318 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.556 ' O ' ' C ' ' A' ' 28' ' ' ASP . 5.3 mt-10 -122.76 24.88 8.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.556 ' C ' ' O ' ' A' ' 27' ' ' GLU . 15.6 p-10 27.62 46.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -102.78 107.29 54.0 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.66 6.16 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.583 1.833 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' A' ' 22' ' ' ARG . . . -148.1 117.31 6.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -106.09 176.19 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 108.249 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.5 t -140.3 154.09 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.6 t -73.51 166.97 22.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.441 1.088 . . . . 0.0 108.312 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.467 ' HB2' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -118.3 97.43 5.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.664 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 35' ' ' HIS . 1.3 t -35.73 124.53 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.056 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.06 0.39 6.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.596 ' OH ' ' CD2' ' A' ' 18' ' ' HIS . 36.4 m-85 -114.43 -168.12 1.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.556 ' CG2' ' N ' ' A' ' 47' ' ' ASP . 2.0 t -131.71 -72.12 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -32.8 148.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.471 1.107 . . . . 0.0 111.08 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.93 -62.86 1.36 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 0.786 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.514 ' CG ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -61.65 -18.76 60.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.403 1.065 . . . . 0.0 110.312 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 3.8 m 87.93 43.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.483 1.114 . . . . 0.0 108.291 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.591 ' CD ' ' CD1' ' A' ' 17' ' ' PHE . 3.6 tp10 -87.8 -36.56 17.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.392 1.058 . . . . 0.0 110.338 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -93.81 158.32 15.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.61 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 47' ' ' ASP . . . -123.45 109.42 13.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.556 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 5.6 t70 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.613 ' CD2' ' OD1' ' A' ' 6' ' ' ASN . 6.3 t60 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.553 ' CE1' ' HA ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER 61.0 133.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.613 ' OD1' ' CD2' ' A' ' 4' ' ' HIS . 35.5 m120 -148.57 139.75 23.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 0.1 OUTLIER 44.33 -167.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.355 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -175.08 138.96 0.6 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 108.24 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.469 ' HG2' ' CB ' ' A' ' 13' ' ' THR . 18.2 Cg_endo -75.0 -173.66 1.65 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.517 1.798 . . . . 0.0 110.962 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' HIS . 25.2 t0 -135.41 -48.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 12' ' ' HIS . 12.4 t -62.09 79.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.57 1.169 . . . . 0.0 109.957 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.505 ' O ' ' CB ' ' A' ' 13' ' ' THR . 12.2 m-70 61.47 129.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.578 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.606 ' O ' ' CE1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER 166.58 -72.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.431 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.61 ' O ' ' CD2' ' A' ' 15' ' ' PHE . 3.7 pm0 -100.1 -16.38 17.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.61 ' CD2' ' O ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER 42.73 100.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.976 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 1.273 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -163.71 128.76 2.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.175 . . . . 0.0 108.336 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.473 ' CB ' ' HA ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -91.76 -10.77 38.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.614 ' CD2' ' O ' ' A' ' 43' ' ' CYS . 0.8 OUTLIER -170.62 82.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.538 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -167.92 162.65 36.43 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.437 1.085 . . . . 0.0 110.978 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -75.79 120.61 21.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 0.758 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.473 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 22.6 p -80.82 135.64 35.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 108.29 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.553 ' HA ' ' CE1' ' A' ' 5' ' ' PHE . 0.5 OUTLIER -150.89 100.63 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -99.79 107.03 18.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.2 OUTLIER -68.9 77.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -42.77 -40.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.404 1.065 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.46 ' CG ' ' HB3' ' A' ' 4' ' ' HIS . 2.7 mm-40 -50.4 -40.3 49.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 24' ' ' LEU . 3.8 mm-40 -112.8 9.72 19.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER 37.19 45.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -121.11 130.62 24.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 134.6 17.96 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.52 1.8 . . . . 0.0 110.973 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -160.46 101.97 1.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 1.273 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 32.0 p -110.21 125.51 53.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 108.269 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 20' ' ' THR . 55.8 t -78.81 109.75 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.452 ' SG ' ' OH ' ' A' ' 38' ' ' TYR . 1.3 m -40.06 157.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.129 . . . . 0.0 108.25 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.528 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -103.42 97.9 7.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.606 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 35' ' ' HIS . 7.0 p -37.59 153.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.985 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.86 39.3 4.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.5 ' CA ' ' HA ' ' A' ' 46' ' ' ALA . 3.0 p90 -155.48 -146.43 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 0.75 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.473 HG22 ' CA ' ' A' ' 46' ' ' ALA . 66.6 t -105.38 -111.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.424 ' N ' ' CG1' ' A' ' 39' ' ' VAL . . . -166.44 -136.17 1.98 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.6 1.188 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 74.96 -84.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 0.76 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -138.95 14.02 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.614 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.1 OUTLIER 75.42 47.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 108.237 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.473 ' HA ' ' CB ' ' A' ' 17' ' ' PHE . 7.4 pt-20 -117.46 -33.02 4.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -103.23 145.05 30.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.57 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.5 ' HA ' ' CA ' ' A' ' 38' ' ' TYR . . . -138.54 118.12 13.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.9 t70 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.635 ' O ' ' CD1' ' A' ' 5' ' ' PHE . 6.8 t60 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.635 ' CD1' ' O ' ' A' ' 4' ' ' HIS . 29.6 m-85 -156.09 48.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 8' ' ' CYS . 18.2 m-80 -134.03 -104.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.364 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' ASN . 20.6 m-20 39.09 30.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.275 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.512 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -49.2 113.23 2.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 108.267 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 18.3 Cg_endo -74.96 -170.89 0.84 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.548 1.815 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 12' ' ' HIS . 5.0 m-20 77.95 -2.44 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.591 ' C ' ' CG ' ' A' ' 12' ' ' HIS . 11.4 t 36.81 33.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.976 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.591 ' CG ' ' C ' ' A' ' 11' ' ' SER . 0.0 OUTLIER 60.97 115.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.608 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 14' ' ' GLN . 4.4 t -137.56 -50.2 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.414 ' N ' HG22 ' A' ' 13' ' ' THR . 69.5 mt-30 -143.29 60.27 1.4 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -133.98 -79.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 111.064 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -129.66 114.48 16.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 108.309 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -81.11 -11.99 59.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.646 ' NE2' ' CG ' ' A' ' 38' ' ' TYR . 33.5 p-80 -155.68 64.46 0.6 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.444 1.09 . . . . 0.0 109.601 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -164.84 175.65 40.76 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -77.81 168.19 20.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.536 0.786 . . . . 0.0 110.391 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.93 138.69 45.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 108.324 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 31' ' ' ALA . 11.9 ttt180 -149.32 138.27 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.595 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 17.4 t80 -140.45 109.28 6.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 111.048 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.54 ' CD2' ' NE2' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -66.67 91.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.578 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -49.93 -43.27 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.248 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.593 ' HG2' ' CE1' ' A' ' 5' ' ' PHE . 3.0 pt20 -56.02 -36.99 68.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 28' ' ' ASP . 2.3 mt-10 -101.45 4.04 40.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.595 ' HA ' ' CZ ' ' A' ' 23' ' ' PHE . 19.8 m-20 36.69 40.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.433 ' CE ' ' HB3' ' A' ' 27' ' ' GLU . 12.5 ptpt -123.08 125.48 26.24 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 143.5 29.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.485 1.782 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -162.24 93.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.79 140.66 29.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 108.264 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 20' ' ' THR . 97.4 t -103.62 153.64 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.502 ' SG ' ' OH ' ' A' ' 38' ' ' TYR . 1.3 m -77.13 -169.32 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.588 1.18 . . . . 0.0 108.271 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -122.24 -88.44 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.612 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 1.5 m 159.3 160.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.957 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.72 23.95 51.43 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.646 ' CG ' ' NE2' ' A' ' 18' ' ' HIS . 11.2 p90 -135.54 -147.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 111.075 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 45' ' ' HIS . 2.0 m -100.2 -107.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.374 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.84 -140.47 2.88 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.455 ' O ' ' CZ ' ' A' ' 42' ' ' ARG . . . 73.01 -86.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 0.779 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.458 ' O ' ' HB2' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -148.25 21.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.51 ' C ' ' CE1' ' A' ' 18' ' ' HIS . 95.1 m 70.72 39.62 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 108.341 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -84.2 -29.96 26.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.487 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 2.1 m80 -137.14 164.78 27.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.596 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.473 ' HA ' ' HB2' ' A' ' 38' ' ' TYR . . . -145.29 130.93 18.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.646 ' O ' ' CG ' ' A' ' 5' ' ' PHE . 7.3 t-160 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.646 ' CG ' ' O ' ' A' ' 4' ' ' HIS . 18.4 p90 43.64 -171.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.518 ' O ' ' CB ' ' A' ' 7' ' ' ASP . 0.9 OUTLIER -150.38 19.07 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 1.4 m-20 82.96 151.64 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 1.339 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 14.9 p -139.17 140.39 26.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 108.334 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.439 ' O ' ' OD1' ' A' ' 10' ' ' ASP . 18.3 Cg_endo -75.0 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.555 1.818 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.516 ' CG ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER 61.58 14.63 6.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.507 ' C ' ' O ' ' A' ' 10' ' ' ASP . 80.4 p -30.63 -41.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.5 OUTLIER -132.41 99.52 4.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.607 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 12' ' ' HIS . 27.3 m -157.36 -67.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.403 1.065 . . . . 0.0 110.437 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -161.24 30.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.59 1.181 . . . . 0.0 110.336 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.413 ' CZ ' ' HB2' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -117.1 -34.83 4.25 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.403 1.064 . . . . 0.0 111.011 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 1.222 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -160.95 129.59 4.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 108.301 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.492 ' O ' ' CB ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -44.24 -26.36 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.563 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 0.7 OUTLIER 162.81 85.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.565 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.464 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -138.0 -168.25 11.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.456 1.098 . . . . 0.0 111.032 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.601 ' OG1' ' CD2' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -95.11 104.51 16.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 0.794 . . . . 0.0 110.422 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 1.339 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 42.4 t -74.03 140.23 45.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 108.285 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -161.11 121.62 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.926 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.415 ' O ' ' CB ' ' A' ' 5' ' ' PHE . 4.6 t80 -96.02 113.75 25.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -83.22 104.92 13.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.459 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -61.05 -38.61 79.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -34.2 -50.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' CG ' ' HB2' ' A' ' 29' ' ' LYS . 1.2 pm0 -118.49 1.23 11.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 24' ' ' LEU . 10.6 t70 53.14 56.64 7.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 26.9 mttt -126.7 116.04 22.63 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.413 ' HB2' ' CZ ' ' A' ' 15' ' ' PHE . 18.2 Cg_endo -75.01 125.08 9.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -156.97 154.19 29.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 1.222 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -107.54 -171.26 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 108.292 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.728 ' CG1' ' O ' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -147.09 56.24 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.245 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.514 ' O ' ' O ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER 34.85 -154.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 108.366 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.601 ' CD2' ' OG1' ' A' ' 20' ' ' THR . 0.0 OUTLIER -162.54 40.29 0.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.565 1.166 . . . . 0.0 109.626 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 35' ' ' HIS . 2.1 p 48.79 -179.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 48.49 22.23 2.45 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.105 . . . . 0.0 110.978 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.602 ' CD2' ' SG ' ' A' ' 43' ' ' CYS . 3.6 m-85 -129.25 -167.22 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 0.758 . . . . 0.0 110.94 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 t -148.25 -166.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.34 -163.43 54.12 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.413 1.07 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.4 -24.8 10.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.588 0.816 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.62 11.2 16.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 110.283 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.602 ' SG ' ' CD2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER 77.1 17.73 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 108.342 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -58.61 -44.01 89.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.75 173.41 7.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -153.36 120.59 5.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.316 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.497 ' N ' ' HD1' ' A' ' 4' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.571 ' CE2' ' HG ' ' A' ' 24' ' ' LEU . 1.1 t80 -179.14 64.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 6' ' ' ASN . 0.3 OUTLIER -138.51 -75.96 0.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' ASN . 0.6 OUTLIER -38.63 114.36 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 1.6 p -133.99 119.19 14.54 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 108.282 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 170.86 19.47 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.542 1.811 . . . . 0.0 111.027 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 12' ' ' HIS . 0.7 OUTLIER -77.16 -65.42 0.95 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.9 t -46.49 96.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.977 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.581 ' CD2' ' HG3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER 74.69 156.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.618 1.199 . . . . 0.0 109.636 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.555 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER 86.67 -23.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -104.39 21.31 16.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.283 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' A' ' 12' ' ' HIS . 22.6 m-85 -63.25 74.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 1.097 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -162.27 114.8 1.7 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 108.275 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -72.4 -13.22 61.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.433 ' O ' ' HB2' ' A' ' 35' ' ' HIS . 3.6 t-160 -163.57 71.54 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 109.582 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.472 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -168.93 165.16 38.7 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -72.36 163.94 27.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 0.805 . . . . 0.0 110.413 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.431 ' HB2' ' CG ' ' A' ' 14' ' ' GLN . 3.7 t -121.6 139.3 53.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 108.275 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.561 ' HG2' ' CD1' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -152.57 147.85 26.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 110.349 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.577 ' CE2' ' HA ' ' A' ' 28' ' ' ASP . 57.3 t80 -133.42 115.13 14.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.571 ' HG ' ' CE2' ' A' ' 5' ' ' PHE . 0.4 OUTLIER -67.19 72.21 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.353 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -39.84 -43.61 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.467 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 27.4 mt-30 -46.85 -43.99 19.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -113.99 15.37 18.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.285 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.577 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 7.2 p-10 36.35 47.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.42 141.76 30.24 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.587 1.179 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.581 ' HG3' ' CD2' ' A' ' 12' ' ' HIS . 18.3 Cg_endo -75.06 140.3 25.12 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.514 1.797 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -162.74 100.63 1.02 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.472 1.108 . . . . 0.0 109.256 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 1.097 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -99.4 139.59 34.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 108.32 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' THR . 39.6 t -92.99 159.69 2.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.454 ' SG ' ' CB ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -68.95 -155.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 108.309 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.546 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -142.89 69.69 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.569 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.2 t 89.59 66.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.095 . . . . 0.0 110.013 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 40.99 39.61 2.05 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.092 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.586 ' CD1' ' HB3' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -75.6 163.93 26.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 110.889 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 40' ' ' GLY . 96.3 t -135.52 -110.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.43 ' N ' ' CG1' ' A' ' 39' ' ' VAL . . . 58.21 -136.52 50.88 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.458 1.099 . . . . 0.0 110.95 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.45 ' O ' ' CB ' ' A' ' 42' ' ' ARG . . . -117.24 101.28 8.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.478 0.752 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 41' ' ' ALA . 3.4 ttt180 80.48 29.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 0.0 110.317 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 42' ' ' ARG . 8.3 m 67.98 39.68 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 108.281 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -87.56 -43.54 11.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.544 1.153 . . . . 0.0 110.323 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.418 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 6.8 m80 -104.94 -176.17 3.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.586 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . . . -132.05 113.5 13.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' ALA . 14.1 t70 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.573 ' CD2' ' HG2' ' A' ' 26' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' A' ' 6' ' ' ASN . 3.3 t80 57.17 157.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.6 ' O ' ' CE2' ' A' ' 5' ' ' PHE . 15.0 m120 -120.1 -91.67 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 5' ' ' PHE . 0.7 OUTLIER -164.8 27.76 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 56.71 93.2 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 108.32 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -178.89 4.46 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.478 1.778 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 12' ' ' HIS . 1.6 p30 -54.96 -19.74 7.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.46 ' C ' ' CD2' ' A' ' 12' ' ' HIS . 56.6 m -37.2 -32.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.508 ' CE1' ' HB3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -151.43 84.93 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.552 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.4 t -81.66 -9.71 59.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.411 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 4.7 mt-30 -118.36 -115.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.417 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 2.3 t80 65.21 5.43 3.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 1.206 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -162.51 172.18 15.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 108.318 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 44' ' ' GLU . 5.1 t80 -85.64 -57.89 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.763 ' CD2' ' CZ ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -164.52 64.55 0.14 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.45 1.094 . . . . 0.0 109.642 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.401 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -126.65 -163.55 11.52 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.547 ' HB ' ' CG2' ' A' ' 33' ' ' VAL . 1.7 m -79.47 -175.12 4.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.21 147.15 36.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 108.355 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -162.39 116.71 1.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.41 ' CG ' ' HE1' ' A' ' 12' ' ' HIS . 2.0 t80 -117.24 103.33 10.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' ASP . 1.2 tp -77.31 77.36 3.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.413 1.071 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -48.47 -46.52 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.573 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -38.73 -44.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 28' ' ' ASP . 6.5 mm-40 -120.56 22.05 11.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 27' ' ' GLU . 60.5 t0 35.51 71.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -122.61 86.2 49.13 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.372 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.508 ' HB3' ' CE1' ' A' ' 12' ' ' HIS . 18.4 Cg_endo -74.97 113.14 3.72 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.455 1.766 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -161.83 151.4 16.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 1.206 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -109.01 -178.8 3.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 108.333 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.547 ' CG2' ' HB ' ' A' ' 20' ' ' THR . 1.8 m -130.33 164.61 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.24 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.86 166.86 22.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 108.245 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.401 ' HB2' ' HA2' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -118.04 15.28 14.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.613 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m 60.15 153.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 109.939 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.85 -10.15 60.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.763 ' CZ ' ' CD2' ' A' ' 18' ' ' HIS . 3.3 p90 -161.98 -170.52 2.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 111.037 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 38' ' ' TYR . 15.6 m -155.32 -138.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.188 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.44 ' O ' ' CB ' ' A' ' 41' ' ' ALA . . . 113.55 18.56 6.99 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 40' ' ' GLY . . . 79.84 -55.29 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 0.774 . . . . 0.0 109.26 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.452 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -103.21 -4.37 24.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 19.0 m 84.2 69.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 108.22 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 17.3 pt-20 -132.95 -41.79 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.216 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 12.8 m-70 -92.38 150.15 20.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.467 ' HA ' ' HB2' ' A' ' 38' ' ' TYR . . . -117.13 112.5 20.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 46' ' ' ALA . 12.2 t70 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.358 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.536 ' C ' ' CG1' ' A' ' 2' ' ' VAL . 3.6 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.58 ' CG2' ' N ' ' A' ' 3' ' ' SER . 1.2 m 67.16 -56.42 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.232 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.58 ' N ' ' CG2' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -44.63 157.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.95 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.61 -172.14 3.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.587 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -135.55 178.2 7.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -153.89 -87.62 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.32 101.83 2.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.582 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -72.29 -48.92 9.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 108.281 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 8' ' ' CYS . 18.1 Cg_endo -75.03 129.08 11.98 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' A' ' 11' ' ' SER . 5.0 m-20 -167.15 35.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' A' ' 10' ' ' ASP . 1.4 m 88.13 -42.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 110.047 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.426 ' CD2' ' HG3' ' A' ' 30' ' ' PRO . 76.4 m-70 -70.08 -7.39 40.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.56 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -10.88 14.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.416 ' CG ' ' O ' ' A' ' 14' ' ' GLN . 2.5 tp-100 -77.17 2.03 16.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.421 ' HA ' ' NH1' ' A' ' 42' ' ' ARG . 7.2 m-85 -86.95 19.41 3.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.232 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -150.88 131.59 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 108.309 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' A' ' 44' ' ' GLU . 25.9 t80 -82.71 -41.02 19.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.765 ' CD2' ' CZ ' ' A' ' 38' ' ' TYR . 14.8 t60 -170.85 78.65 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.603 1.189 . . . . 0.0 109.611 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.421 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -157.97 -167.25 18.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.562 1.164 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -73.54 152.13 40.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 0.785 . . . . 0.0 110.416 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.444 ' C ' ' CG ' ' A' ' 22' ' ' ARG . 4.2 t -127.8 140.49 52.01 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.502 1.126 . . . . 0.0 108.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.444 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 0.7 OUTLIER -156.83 118.09 3.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.407 ' O ' ' CB ' ' A' ' 5' ' ' PHE . 82.7 t80 -115.8 115.89 27.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 111.045 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 27' ' ' GLU . 1.3 tp -74.75 101.12 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.509 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.8 OUTLIER -57.21 -83.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.348 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 25' ' ' VAL . 13.2 mt-30 -34.82 -35.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.63 ' O ' ' C ' ' A' ' 28' ' ' ASP . 2.3 mt-10 -115.66 52.83 0.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.63 ' C ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -18.35 95.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' GLU . 14.5 mttm -154.21 97.71 2.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.426 ' HG3' ' CD2' ' A' ' 12' ' ' HIS . 18.3 Cg_endo -75.05 119.9 5.83 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.503 1.791 . . . . 0.0 110.942 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -155.66 117.86 4.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.232 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -109.61 128.41 55.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 108.349 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 45.8 t -81.92 164.46 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 109.365 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.464 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 1.5 t -65.33 -155.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 108.236 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.502 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -131.31 -76.33 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.579 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.7 t 159.26 145.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.051 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.53 16.22 43.24 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.426 1.079 . . . . 0.0 111.034 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.765 ' CZ ' ' CD2' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -105.67 -168.56 1.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 0.793 . . . . 0.0 110.981 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.551 ' CG2' ' N ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -160.97 173.59 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.26 160.39 14.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.56 -39.54 73.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.492 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -123.71 16.48 9.49 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 5.8 m 87.08 35.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 108.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.585 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 30.5 mm-40 -74.82 -38.62 62.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.445 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 1.1 m80 -88.92 161.81 16.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.578 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 47' ' ' ASP . . . -126.79 105.16 8.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.551 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER 52.07 175.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 tp 79.11 18.35 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.472 ' HB3' ' CG1' ' A' ' 39' ' ' VAL . 0.2 OUTLIER -154.17 48.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.134 0 CA-C-O 117.055 -1.45 . . . . 0.0 109.277 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.436 ' O ' ' CG1' ' A' ' 1' ' ' VAL . 9.5 p . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.9 t -126.17 -51.92 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.31 160.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.529 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 0.2 OUTLIER 177.64 133.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.622 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.568 ' CG ' ' O ' ' A' ' 5' ' ' PHE . 77.2 t80 36.87 39.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.422 ' C ' ' N ' ' A' ' 8' ' ' CYS . 3.2 t-20 -159.05 166.01 32.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 48.1 23.31 0.5 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.409 1.068 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.34 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -51.21 177.35 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 108.296 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 8' ' ' CYS . 18.3 Cg_endo -75.03 -168.4 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.591 ' O ' ' CB ' ' A' ' 11' ' ' SER . 30.2 t0 -107.01 65.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.591 ' CB ' ' O ' ' A' ' 10' ' ' ASP . 2.3 t 92.29 -39.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -42.11 -27.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.608 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.469 ' N ' ' HG2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -46.79 -84.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.677 ' C ' ' CG ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -107.51 3.64 25.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 0.0 110.275 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.677 ' CG ' ' C ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER 68.73 114.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.201 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -146.92 170.19 17.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.334 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.557 ' CG ' ' HB2' ' A' ' 44' ' ' GLU . 4.1 m-85 -109.47 -23.11 11.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.578 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 3.2 t-160 -176.08 80.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 109.639 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.421 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -158.6 167.23 34.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -74.89 124.86 27.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 0.778 . . . . 0.0 110.369 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 1.34 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -81.93 144.11 31.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 108.301 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.428 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -162.62 110.24 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 25' ' ' VAL . 0.3 OUTLIER -104.56 104.44 14.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 111.064 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.468 ' CD1' ' HG3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -67.95 68.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.529 ' CG1' ' HA ' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -41.55 -42.6 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.468 ' HG3' ' CD1' ' A' ' 24' ' ' LEU . 5.2 mt-30 -43.33 -43.59 5.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 28' ' ' ASP . 8.0 mt-10 -118.67 14.26 13.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' LEU . 9.4 t70 37.77 67.66 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.598 1.186 . . . . 0.0 109.363 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -135.61 119.15 12.8 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.447 ' HB2' ' CA ' ' A' ' 14' ' ' GLN . 18.3 Cg_endo -75.02 131.17 13.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 0.0 111.061 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -163.12 132.05 4.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.228 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.201 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 24.5 p -133.18 131.6 40.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.307 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 20' ' ' THR . 5.3 t -80.54 157.52 4.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -60.16 -169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 108.36 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -148.69 -86.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.567 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.57 ' OG ' ' CE2' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -70.92 61.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.083 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 36' ' ' SER . . . 34.55 41.01 0.21 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 18' ' ' HIS . 51.1 m-85 -72.0 -159.8 0.05 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 0.769 . . . . 0.0 110.98 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.421 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 11.2 t -73.12 -124.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.374 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' ALA . . . -148.59 -52.21 0.02 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' GLY . . . -38.19 -89.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 0.786 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -96.22 -11.71 25.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.1 m 61.03 31.24 19.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 108.281 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.557 ' HB2' ' CG ' ' A' ' 17' ' ' PHE . 16.6 pt-20 -92.58 -33.1 14.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.71 162.34 14.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.571 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.01 105.34 16.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -41.43 161.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.439 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -104.96 178.16 4.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.212 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.7 tp -172.32 66.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 109.237 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-O 117.015 -1.469 . . . . 0.0 109.287 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 4' ' ' HIS . 65.9 t -111.3 -34.44 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.571 ' HA ' ' CE1' ' A' ' 5' ' ' PHE . 2.6 m -49.96 94.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 2' ' ' VAL . 17.1 t-160 -106.31 16.71 24.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.617 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.638 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -118.53 92.18 3.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 111.019 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 7' ' ' ASP . 0.3 OUTLIER -100.56 -77.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 8' ' ' CYS . 2.1 m-20 -50.67 -179.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.571 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER 158.44 -49.75 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 108.26 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 8' ' ' CYS . 18.4 Cg_endo -74.95 123.39 7.87 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 111.048 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.414 ' O ' ' CB ' ' A' ' 11' ' ' SER . 5.2 m-20 -107.97 44.78 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.605 1.191 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.438 ' C ' ' CG ' ' A' ' 12' ' ' HIS . 2.3 p 80.34 25.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 110.034 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.438 ' CG ' ' C ' ' A' ' 11' ' ' SER . 0.0 OUTLIER 52.44 95.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.693 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.514 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 11.6 p -106.05 -63.36 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.403 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.514 ' CG ' ' O ' ' A' ' 13' ' ' THR . 5.4 mt-30 -170.61 37.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.32 -36.39 3.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -161.36 133.4 5.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 108.32 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.486 ' CB ' ' HA ' ' A' ' 44' ' ' GLU . 0.1 OUTLIER -122.03 -18.32 6.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.66 ' NE2' ' CG ' ' A' ' 38' ' ' TYR . 33.7 p-80 -158.77 65.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.576 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -162.53 179.52 37.78 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.479 1.112 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -76.08 154.38 35.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 110.396 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -120.53 140.38 51.55 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.599 1.187 . . . . 0.0 108.329 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.415 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 1.4 mtt-85 -155.1 109.35 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -111.31 107.81 17.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.574 HD13 ' CD1' ' A' ' 5' ' ' PHE . 1.7 tp -75.1 70.39 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -43.55 -46.3 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.192 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.446 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -45.73 -33.07 2.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.43 1.081 . . . . 0.0 110.243 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 28' ' ' ASP . 0.3 OUTLIER -124.88 17.81 8.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.27 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' GLU . 76.6 m-20 35.69 53.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -114.75 93.16 32.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 120.72 6.2 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.526 1.803 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -158.3 125.03 4.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.404 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -112.18 129.15 56.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 108.259 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 20' ' ' THR . 51.1 t -81.38 149.21 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.226 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.443 ' SG ' ' OH ' ' A' ' 38' ' ' TYR . 98.2 m -66.51 -170.22 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 108.275 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.569 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -126.17 -85.16 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.56 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.7 p 153.57 161.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 110.029 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.81 27.9 61.93 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.538 1.149 . . . . 0.0 111.039 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.66 ' CG ' ' NE2' ' A' ' 18' ' ' HIS . 38.8 p90 -137.12 -156.75 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.771 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.604 ' O ' ' CE2' ' A' ' 38' ' ' TYR . 2.1 t -92.33 -142.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.343 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 41' ' ' ALA . . . -146.87 137.46 6.72 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 40' ' ' GLY . . . 159.6 -80.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.406 ' C ' ' SG ' ' A' ' 43' ' ' CYS . 3.8 mpp_? -133.32 6.13 3.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.607 ' C ' ' CE1' ' A' ' 18' ' ' HIS . 0.3 OUTLIER 72.06 43.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 108.317 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.486 ' HA ' ' CB ' ' A' ' 17' ' ' PHE . 9.3 tt0 -115.76 -28.95 6.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.608 1.192 . . . . 0.0 110.303 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.49 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 3.2 m170 -109.48 144.66 37.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.57 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.421 ' HA ' ' HB2' ' A' ' 38' ' ' TYR . . . -141.46 123.7 15.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -40.19 149.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.92 18.28 1.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.86 59.0 1.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.201 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 116.928 -1.51 . . . . 0.0 109.311 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.49 ' CG2' ' OE1' ' A' ' 26' ' ' GLN . 10.0 m -108.76 -26.67 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.5 p 63.81 101.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.433 ' HB3' ' CG ' ' A' ' 26' ' ' GLN . 2.6 t-160 -159.4 78.86 0.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.616 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -117.4 163.87 15.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 7' ' ' ASP . 63.2 t30 -140.91 -65.1 0.45 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.6 ' OD2' ' CD2' ' A' ' 23' ' ' PHE . 5.9 m-20 -59.86 -153.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.486 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER 170.01 -54.33 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 108.309 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.524 ' HA ' ' CZ ' ' A' ' 15' ' ' PHE . 18.5 Cg_endo -74.92 127.8 11.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.577 1.83 . . . . 0.0 111.025 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.411 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.2 OUTLIER -127.83 24.35 6.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 109.353 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 p 64.72 65.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 59.81 95.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.593 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 14' ' ' GLN . 0.5 OUTLIER 178.95 133.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 13' ' ' THR . 40.6 mt-30 36.45 41.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.524 ' CZ ' ' HA ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -101.78 -162.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 111.039 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -155.19 143.75 20.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.405 1.066 . . . . 0.0 108.338 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -28.32 69.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.797 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -169.2 71.78 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.616 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 33' ' ' VAL . . . -132.15 -142.76 5.0 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.068 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -124.3 99.09 6.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 0.745 . . . . 0.0 110.448 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.434 ' C ' ' CG ' ' A' ' 22' ' ' ARG . 17.4 p -73.23 136.85 44.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 108.308 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.434 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 2.1 mtt-85 -155.53 111.09 3.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.6 ' CD2' ' OD2' ' A' ' 7' ' ' ASP . 71.1 t80 -92.04 111.15 22.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -67.42 72.48 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -39.99 -40.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.49 ' OE1' ' CG2' ' A' ' 2' ' ' VAL . 17.0 mt-30 -43.82 -44.77 7.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.34 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.9 mp0 -118.04 8.34 12.45 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.456 1.097 . . . . 0.0 110.366 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.586 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 0.0 OUTLIER 44.18 72.27 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.079 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 2.6 mtpp -145.34 129.18 8.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 119.08 5.5 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.538 1.809 . . . . 0.0 111.042 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.94 112.38 5.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -101.03 -173.81 2.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 108.314 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 20' ' ' THR . 42.5 t -150.55 151.23 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.472 ' SG ' ' CD2' ' A' ' 38' ' ' TYR . 1.3 m -62.98 169.47 3.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 108.264 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.505 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -119.49 -40.75 2.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.647 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.9 p 159.49 144.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.392 1.057 . . . . 0.0 109.968 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.13 56.21 19.47 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.663 ' OH ' ' CD2' ' A' ' 18' ' ' HIS . 4.0 m-85 -131.97 -176.73 4.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 0.784 . . . . 0.0 111.065 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.4 ' CG2' ' N ' ' A' ' 47' ' ' ASP . 86.7 t -94.99 -99.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.361 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -174.23 44.75 0.14 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.421 1.076 . . . . 0.0 111.063 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -134.71 -107.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 0.724 . . . . 0.0 109.385 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -90.04 -1.33 57.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.617 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 79.2 m 71.18 45.03 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 108.23 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -104.96 -40.16 6.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -104.38 160.31 15.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.549 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.6 ' HA ' ' HA ' ' A' ' 38' ' ' TYR . . . -110.77 100.23 9.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER 55.78 166.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.447 ' N ' ' CG ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER 74.95 140.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -168.15 73.15 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.003 -1.475 . . . . 0.0 109.338 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.427 ' O ' ' CB ' ' A' ' 2' ' ' VAL . 28.4 m . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.563 HG13 ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER 80.35 -51.93 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.573 ' OG ' ' CE1' ' A' ' 5' ' ' PHE . 3.3 t 85.39 138.37 0.05 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.517 1.135 . . . . 0.0 110.016 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.581 ' CG ' ' HB3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -139.83 81.18 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.612 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.636 ' CD2' ' HG ' ' A' ' 24' ' ' LEU . 1.6 m-85 -133.83 97.72 3.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.46 ' O ' ' C ' ' A' ' 7' ' ' ASP . 0.7 OUTLIER -111.58 -151.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.516 ' HB2' ' CB ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER 36.29 -150.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.558 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER 166.91 -50.42 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 108.277 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 8' ' ' CYS . 18.3 Cg_endo -74.97 119.94 5.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.03 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.456 ' OD2' ' CA ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -104.78 -8.2 18.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 12' ' ' HIS . 0.4 OUTLIER 38.17 77.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.979 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.578 ' O ' ' CB ' ' A' ' 13' ' ' THR . 2.8 t-160 89.63 168.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.615 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.578 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER 88.32 -37.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 110.393 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 13' ' ' THR . 2.0 mt-30 -175.72 -96.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.478 ' CE1' ' O ' ' A' ' 8' ' ' CYS . 3.0 t80 45.71 -173.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.203 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -124.82 -175.57 3.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.258 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.598 ' CZ ' ' OE2' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -112.84 -41.91 3.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.71 ' CD2' ' CZ ' ' A' ' 38' ' ' TYR . 30.5 p-80 -151.02 62.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.566 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.417 ' HA2' ' CG ' ' A' ' 35' ' ' HIS . . . -150.44 -166.26 13.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 33' ' ' VAL . 0.8 OUTLIER -75.11 154.75 37.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 0.779 . . . . 0.0 110.318 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.446 ' C ' ' CG ' ' A' ' 22' ' ' ARG . 5.5 p -139.44 137.71 35.85 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.52 1.138 . . . . 0.0 108.267 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.446 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 4.5 mtt-85 -157.17 101.45 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.516 ' CB ' ' HB2' ' A' ' 7' ' ' ASP . 1.6 t80 -80.12 117.16 20.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.636 ' HG ' ' CD2' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -73.83 86.29 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.492 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -56.51 -48.94 79.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.581 ' HB3' ' CG ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -49.82 -34.03 18.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.517 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 2.7 mm-40 -109.09 10.78 25.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 110.357 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 24' ' ' LEU . 5.7 m-20 35.87 45.61 0.29 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 3.4 mmmt -135.75 129.19 18.23 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.401 1.063 . . . . 0.0 109.386 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 119.2 5.55 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.514 1.797 . . . . 0.0 111.035 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -130.29 95.94 4.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.203 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -97.36 147.61 24.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.279 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' THR . 68.1 t -108.93 157.73 9.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.99 176.31 8.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 108.256 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.417 ' CG ' ' HA2' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -103.7 -3.11 25.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.624 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t 74.96 133.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.969 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.92 14.76 30.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.71 ' CZ ' ' CD2' ' A' ' 18' ' ' HIS . 11.0 m-30 -110.77 -163.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 0.797 . . . . 0.0 111.078 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.448 ' CG1' ' N ' ' A' ' 40' ' ' GLY . 50.7 t -78.52 -97.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.448 ' N ' ' CG1' ' A' ' 39' ' ' VAL . . . 170.49 40.73 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.09 -84.02 0.56 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.74 . . . . 0.0 109.389 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -127.85 2.32 6.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 8.8 m 82.65 69.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.289 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.598 ' OE2' ' CZ ' ' A' ' 17' ' ' PHE . 4.9 tt0 -144.32 -42.9 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.266 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.16 157.66 18.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.569 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.43 110.56 14.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 48' ' ' LEU . 10.3 t0 -52.62 -97.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.447 ' N ' ' CG ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER 58.21 17.74 4.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.3 tp -123.19 -107.48 0.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 117.073 -1.441 . . . . 0.0 109.306 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.524 ' O ' ' C ' ' A' ' 2' ' ' VAL . 1.9 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.541 ' CG2' ' N ' ' A' ' 3' ' ' SER . 0.8 OUTLIER 31.28 -97.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.393 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.541 ' N ' ' CG2' ' A' ' 2' ' ' VAL . 17.2 t 174.86 175.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.045 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -126.5 -166.42 1.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 109.616 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.548 ' CD1' ' HB2' ' A' ' 22' ' ' ARG . 12.2 p90 -106.88 151.19 25.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -138.75 -90.86 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.411 ' O ' ' CB ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -88.03 147.66 24.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.2 p -130.94 141.61 42.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 108.297 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.572 ' HD3' ' CD2' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.02 -97.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.45 1.763 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.533 ' HB3' ' CE2' ' A' ' 15' ' ' PHE . 1.5 p30 156.57 46.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -52.04 -173.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.943 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -91.12 30.52 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.621 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.538 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 1.5 t -86.39 18.21 3.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER 89.12 -22.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.558 ' CE1' ' SG ' ' A' ' 21' ' ' CYS . 1.6 t80 31.48 -145.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 110.968 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.288 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -150.01 154.35 38.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 108.316 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.572 ' CG ' ' HB3' ' A' ' 44' ' ' GLU . 8.7 m-85 -94.56 -32.25 13.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.963 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 3.5 t-160 -163.5 69.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.59 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.99 -175.64 15.56 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -77.15 106.62 8.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.745 . . . . 0.0 110.417 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.558 ' SG ' ' CE1' ' A' ' 15' ' ' PHE . 4.1 t -92.77 142.18 27.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 108.249 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.548 ' HB2' ' CD1' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -157.72 108.73 2.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 0.0 110.341 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.572 ' CD2' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -87.68 107.88 18.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.997 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 28' ' ' ASP . 1.4 mt -72.87 75.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.485 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -46.82 -49.15 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.485 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -54.47 -26.71 32.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 28' ' ' ASP . 3.0 tp10 -108.2 2.79 23.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.591 1.182 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER 37.12 60.7 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.26 123.94 1.99 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 124.73 8.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.46 ' O ' ' CG ' ' A' ' 22' ' ' ARG . . . -146.38 122.46 10.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.172 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.288 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 31.0 p -116.25 -170.6 1.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 108.314 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 20' ' ' THR . 53.6 t -152.34 149.17 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 39' ' ' VAL . 12.5 t -52.94 167.91 0.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 108.257 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -107.86 150.81 26.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.524 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.41 132.73 49.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.602 1.189 . . . . 0.0 109.965 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.37 56.35 14.05 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.562 1.164 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.614 ' CD2' ' O ' ' A' ' 45' ' ' HIS . 0.1 OUTLIER -144.11 -160.58 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 111.004 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.403 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 13.6 m -98.95 -157.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -120.06 -148.65 8.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.121 . . . . 0.0 110.956 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 57.81 -91.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.94 -12.6 13.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.348 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.1 m 68.17 49.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 108.367 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.572 ' HB3' ' CG ' ' A' ' 17' ' ' PHE . 2.7 pm0 -93.16 -25.1 18.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.572 1.17 . . . . 0.0 110.272 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.614 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 3.0 m170 -107.2 160.36 15.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.646 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -111.35 103.88 12.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.403 ' OD2' ' O ' ' A' ' 38' ' ' TYR . 0.5 OUTLIER -52.01 162.71 0.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.9 -163.09 1.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.1 50.53 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.138 0 CA-C-O 116.961 -1.495 . . . . 0.0 109.318 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.499 ' CG2' ' N ' ' A' ' 3' ' ' SER . 0.4 OUTLIER -138.11 -91.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.382 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.499 ' N ' ' CG2' ' A' ' 2' ' ' VAL . 1.4 p -39.41 134.48 1.21 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.462 ' N ' HE21 ' A' ' 26' ' ' GLN . 0.4 OUTLIER -147.37 73.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.597 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.605 ' CZ ' ' O ' ' A' ' 6' ' ' ASN . 0.2 OUTLIER -103.62 165.46 11.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.605 ' O ' ' CZ ' ' A' ' 5' ' ' PHE . 2.6 m-80 -140.7 -88.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.58 164.52 19.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -111.38 103.41 54.97 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 108.264 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 10' ' ' ASP . 18.2 Cg_endo -75.08 -172.98 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -39.39 -44.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 20.0 t -38.87 158.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.612 ' CD2' ' SG ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER 82.71 -48.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.581 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.577 ' N ' ' CD2' ' A' ' 12' ' ' HIS . 73.0 p 48.8 -89.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.357 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 12' ' ' HIS . 2.4 mp0 -93.79 -104.34 0.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.476 ' CB ' ' O ' ' A' ' 14' ' ' GLN . 0.4 OUTLIER 73.82 -3.01 2.61 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.524 1.14 . . . . 0.0 110.956 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -165.01 143.24 6.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 108.277 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.622 ' CD2' ' O ' ' A' ' 44' ' ' GLU . 1.3 m-85 -69.41 -30.04 67.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.792 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -177.52 80.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.598 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -146.89 -172.09 16.81 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.55 168.95 19.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 110.418 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.612 ' SG ' ' CD2' ' A' ' 12' ' ' HIS . 44.3 t -126.18 148.74 49.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 108.279 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.11 137.92 14.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.255 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -129.25 109.23 10.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.494 ' CD2' ' OE1' ' A' ' 26' ' ' GLN . 2.0 tp -77.17 81.82 3.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.427 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -42.74 -45.01 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.494 ' OE1' ' CD2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -50.0 -40.5 44.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' ASP . 10.0 mt-10 -100.62 4.35 43.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 27' ' ' GLU . 46.7 t0 36.63 48.64 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -140.05 139.08 20.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 148.84 36.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.561 1.822 . . . . 0.0 111.074 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.45 109.38 1.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.602 1.189 . . . . 0.0 109.23 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -96.8 167.19 11.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 108.303 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.6 t -131.9 156.54 42.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 m -64.85 -177.53 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 108.323 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -125.12 12.41 8.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.566 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 p 79.14 143.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.9 29.95 62.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.638 ' OH ' ' CD2' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -105.35 -175.83 2.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 0.746 . . . . 0.0 111.063 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.493 ' CG2' ' C ' ' A' ' 38' ' ' TYR . 1.9 t -153.71 -142.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 38.25 -129.02 1.69 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 42' ' ' ARG . . . -147.23 146.25 29.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER 75.97 -1.15 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.621 ' HB3' ' CD2' ' A' ' 38' ' ' TYR . 9.6 m 81.25 18.41 0.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 108.269 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.622 ' O ' ' CD2' ' A' ' 17' ' ' PHE . 34.1 mt-10 -68.31 -52.3 35.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.488 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 5.1 m170 -88.05 169.55 11.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.53 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -151.89 147.14 26.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.459 ' N ' HG21 ' A' ' 39' ' ' VAL . 2.1 p-10 -42.02 162.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.407 1.067 . . . . 0.0 109.351 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.489 ' C ' ' CD2' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -140.72 168.03 20.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.3 mt -123.14 -107.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.228 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 116.997 -1.477 . . . . 0.0 109.285 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' A' ' 3' ' ' SER . 16.4 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.566 ' CG2' ' N ' ' A' ' 3' ' ' SER . 0.3 OUTLIER 33.98 -94.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.673 ' O ' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -36.21 154.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.011 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.673 ' CD2' ' O ' ' A' ' 3' ' ' SER . 2.2 p-80 45.25 -171.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 109.638 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -86.47 140.51 29.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.806 ' ND2' ' H ' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -153.37 -94.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.806 ' H ' ' ND2' ' A' ' 6' ' ' ASN . 17.7 m-20 -86.0 1.05 51.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.647 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 21.2 p 42.71 52.7 8.01 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 108.274 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.647 ' HD3' ' N ' ' A' ' 8' ' ' CYS . 18.4 Cg_endo -74.98 138.0 22.51 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.459 1.768 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.565 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 1.3 p30 150.11 31.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 10' ' ' ASP . 4.9 t 60.52 138.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.562 ' HB3' ' CD1' ' A' ' 15' ' ' PHE . 25.2 m80 73.77 8.75 4.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.613 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 12' ' ' HIS . 72.5 p -34.82 -71.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.478 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 32' ' ' CYS . 35.9 mt-30 -44.95 -70.6 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 110.387 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 12' ' ' HIS . 0.0 OUTLIER 67.04 10.15 7.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.172 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -146.44 121.11 9.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 108.26 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -72.91 -1.87 18.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.645 ' CG ' ' CZ ' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -169.8 67.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.571 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.468 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -171.39 179.17 43.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -89.5 172.04 9.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 110.371 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 13' ' ' THR . 15.2 t -126.28 146.89 49.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 108.314 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 31' ' ' ALA . 11.0 ttt180 -153.06 123.34 7.09 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.596 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 43.2 t80 -140.52 109.79 6.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' ASP . 9.8 tp -76.25 79.89 3.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -41.68 -40.57 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.34 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.427 ' CG ' ' HA ' ' A' ' 4' ' ' HIS . 6.5 mt-30 -44.77 -44.79 9.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 28' ' ' ASP . 2.1 mm-40 -119.78 17.1 12.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 110.285 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.596 ' HA ' ' CZ ' ' A' ' 23' ' ' PHE . 71.4 m-20 38.2 66.79 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.5 mtmm -118.17 95.63 48.65 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.578 1.173 . . . . 0.0 109.307 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 123.19 7.74 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.542 1.812 . . . . 0.0 111.056 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 22' ' ' ARG . . . -162.38 112.75 1.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.172 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -98.16 149.6 22.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 108.319 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 69.6 t -108.1 167.03 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 109.298 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.466 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 4.1 t -77.79 174.85 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 108.342 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.538 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -109.51 -77.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.069 . . . . 0.0 109.624 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.7 p 156.76 148.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.988 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.495 ' C ' ' CD1' ' A' ' 38' ' ' TYR . . . 92.26 17.02 48.22 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.127 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.645 ' CZ ' ' CG ' ' A' ' 18' ' ' HIS . 1.2 m-85 -137.96 -158.91 0.9 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.519 0.776 . . . . 0.0 111.048 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.485 ' O ' ' C ' ' A' ' 40' ' ' GLY . 2.8 t -153.28 -46.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.485 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -30.65 140.3 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.105 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.63 -53.66 29.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.584 0.814 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.458 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -79.28 -14.46 59.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 7.2 m 84.46 56.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 108.376 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -114.17 -32.62 5.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 110.353 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -100.67 148.58 24.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.606 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.35 89.68 4.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.468 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 3.4 t70 55.21 167.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.453 ' N ' ' CG ' ' A' ' 47' ' ' ASP . 0.3 OUTLIER -91.68 22.22 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.437 ' CB ' ' OD2' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -144.2 51.2 1.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.263 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.133 0 CA-C-O 116.968 -1.492 . . . . 0.0 109.254 179.918 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 88.6 t . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 4' ' ' HIS . 2.7 t -77.18 170.22 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.04 92.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.571 ' CD2' ' HB3' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -106.58 130.97 54.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.586 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.571 ' HB3' ' CD2' ' A' ' 4' ' ' HIS . 1.8 t80 42.33 87.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -96.21 -152.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 8' ' ' CYS . 1.2 m-20 -76.89 -0.6 24.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 7' ' ' ASP . 1.7 t 57.78 106.72 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.341 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 10' ' ' ASP . 18.3 Cg_endo -75.01 179.03 6.49 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.445 1.761 . . . . 0.0 110.976 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.497 ' O ' ' C ' ' A' ' 11' ' ' SER . 3.4 m-20 -39.17 -66.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.497 ' C ' ' O ' ' A' ' 10' ' ' ASP . 94.5 p 31.65 -96.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 0.0 110.039 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.68 ' CE1' ' CE2' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -76.99 89.88 3.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 109.544 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.444 ' C ' ' N ' ' A' ' 15' ' ' PHE . 1.2 p -88.06 -166.96 1.73 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.504 ' CA ' ' NH2' ' A' ' 42' ' ' ARG . 2.1 mt-30 40.3 27.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 0.0 110.319 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.444 ' N ' ' C ' ' A' ' 13' ' ' THR . 1.2 t80 -111.73 -17.42 12.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.281 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -162.25 107.65 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 108.357 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.481 ' CD2' ' HG3' ' A' ' 44' ' ' GLU . 0.1 OUTLIER -73.98 -15.54 61.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.469 ' CE1' ' OH ' ' A' ' 38' ' ' TYR . 4.5 t-160 -168.43 71.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.579 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.506 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -156.91 178.6 33.24 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.473 ' CB ' ' HB ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -82.86 171.47 13.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 0.784 . . . . 0.0 110.391 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.6 t -129.73 141.43 50.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.102 . . . . 0.0 108.279 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.509 ' HB3' ' CE1' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -149.32 109.11 4.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.68 ' CE2' ' CE1' ' A' ' 12' ' ' HIS . 0.8 OUTLIER -114.13 103.54 11.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 25' ' ' VAL . 1.7 tp -68.85 67.78 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -40.17 -40.83 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.37 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.548 ' HG3' ' CD2' ' A' ' 4' ' ' HIS . 1.5 mt-30 -44.92 -42.15 7.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -119.66 17.23 12.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 27' ' ' GLU . 10.3 t70 37.69 63.36 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.252 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -127.05 114.8 21.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.573 ' HB3' ' CE1' ' A' ' 12' ' ' HIS . 18.3 Cg_endo -75.01 129.29 12.19 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.548 1.815 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.88 98.29 1.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.281 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.6 OUTLIER -96.71 145.83 25.43 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 108.242 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.473 ' HB ' ' CB ' ' A' ' 20' ' ' THR . 16.2 t -79.43 136.03 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -81.25 3.61 23.34 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.444 1.09 . . . . 0.0 108.277 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.506 ' HB2' ' HA2' ' A' ' 19' ' ' GLY . 0.1 OUTLIER 63.2 65.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.582 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 35' ' ' HIS . 0.6 OUTLIER -32.8 123.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.96 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.81 -8.47 5.5 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.078 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.469 ' OH ' ' CE1' ' A' ' 18' ' ' HIS . 4.4 m-85 -101.68 -170.17 1.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 0.746 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' ' 40' ' ' GLY . 45.6 t -155.28 -38.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.5 ' O ' ' C ' ' A' ' 41' ' ' ALA . . . -30.49 150.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.5 ' C ' ' O ' ' A' ' 40' ' ' GLY . . . -32.83 -78.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 0.728 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.535 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -66.16 -62.48 1.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 1.0 OUTLIER 156.85 52.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 108.256 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.481 ' HG3' ' CD2' ' A' ' 17' ' ' PHE . 0.6 OUTLIER -111.79 -40.37 4.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.252 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -80.58 164.17 23.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 109.602 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 38' ' ' TYR . . . -139.82 119.57 13.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.448 ' HB2' ' CG2' ' A' ' 39' ' ' VAL . 16.0 t0 -54.97 163.16 1.07 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.422 1.076 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.44 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -126.66 17.9 7.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.4 mp -123.18 -107.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 117.048 -1.453 . . . . 0.0 109.276 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.9 p -84.8 -48.85 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 61.3 120.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.583 ' O ' ' CD2' ' A' ' 5' ' ' PHE . 1.5 t60 -100.21 -141.5 0.33 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.497 1.123 . . . . 0.0 109.551 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.746 ' CZ ' ' CD2' ' A' ' 24' ' ' LEU . 0.3 OUTLIER 160.81 106.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 5' ' ' PHE . 25.5 m120 -159.52 -111.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.0 106.09 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.596 1.185 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.554 ' HA ' ' HB3' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -86.28 -55.08 0.39 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 108.247 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 8' ' ' CYS . 18.2 Cg_endo -75.0 104.6 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.466 1.771 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.585 ' O ' ' CB ' ' A' ' 11' ' ' SER . 3.5 m-20 -162.04 22.71 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.585 ' CB ' ' O ' ' A' ' 10' ' ' ASP . 1.6 m 151.17 98.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.585 ' CG ' ' O ' ' A' ' 11' ' ' SER . 5.3 m170 92.21 9.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 109.638 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.427 ' HB ' ' CB ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -41.53 -24.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 110.485 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.474 ' N ' ' C ' ' A' ' 12' ' ' HIS . 1.6 mt-30 -81.95 27.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.245 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -89.87 10.73 22.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.963 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.204 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -153.81 114.84 4.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 108.283 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.605 ' CE2' ' CD ' ' A' ' 44' ' ' GLU . 62.0 m-85 -52.07 -47.67 65.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -167.27 79.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.553 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.474 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -142.58 -177.06 17.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' ' CB ' ' A' ' 32' ' ' CYS . 1.9 m -78.53 152.41 31.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 0.729 . . . . 0.0 110.383 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -101.14 135.64 42.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.401 1.063 . . . . 0.0 108.321 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -154.74 93.31 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.236 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.554 ' HB3' ' HA ' ' A' ' 8' ' ' CYS . 3.4 t80 -132.11 118.79 20.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.061 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.746 ' CD2' ' CZ ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -83.97 104.29 13.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.362 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.554 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER -49.87 -54.11 8.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.179 . . . . 0.0 109.344 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.554 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 9.8 mm-40 -57.89 -17.78 18.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.073 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.567 ' O ' ' C ' ' A' ' 28' ' ' ASP . 2.8 tp10 -114.86 4.72 14.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' A' ' 24' ' ' LEU . 1.3 p30 26.69 47.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -119.95 100.8 48.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.602 1.189 . . . . 0.0 109.252 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.463 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.1 132.71 15.59 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -162.37 118.15 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.204 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.6 OUTLIER -115.9 122.44 45.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.107 . . . . 0.0 108.34 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.513 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER -82.0 177.16 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.513 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 0.6 OUTLIER -64.06 -167.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 108.363 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.474 ' HB2' ' HA2' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -137.23 32.77 2.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.659 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.21 89.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.07 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.614 ' C ' ' CD1' ' A' ' 38' ' ' TYR . . . 147.34 40.85 0.04 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.614 ' CD1' ' C ' ' A' ' 37' ' ' GLY . 83.1 m-85 -158.86 -171.54 3.45 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.58 0.812 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 40' ' ' GLY . 73.6 t -86.78 -103.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.45 ' N ' ' CG1' ' A' ' 39' ' ' VAL . . . -140.34 -173.7 13.5 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 40' ' ' GLY . . . 80.45 -133.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 0.732 . . . . 0.0 109.337 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.37 12.71 7.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 75.79 38.16 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 108.277 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.605 ' CD ' ' CE2' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -89.13 -39.22 13.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.0 m170 -81.59 161.62 23.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.591 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.415 ' N ' HG22 ' A' ' 39' ' ' VAL . . . -138.23 113.25 9.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -52.31 161.52 0.64 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.127 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.05 17.79 12.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.3 mp -123.14 -107.47 0.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 116.993 -1.479 . . . . 0.0 109.34 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 29.9 m . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' SER . 5.5 t 60.26 160.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.439 ' O ' ' NE2' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -57.36 -160.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.999 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.54 ' O ' ' CD2' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -166.55 -44.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 109.654 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.659 ' CE1' ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER 177.63 161.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 111.035 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.433 ' ND2' ' CD2' ' A' ' 23' ' ' PHE . 0.8 OUTLIER -145.97 -174.2 4.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.52 159.52 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 0.0 109.29 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.415 ' SG ' ' C ' ' A' ' 21' ' ' CYS . 7.8 p -122.46 98.78 43.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 0.0 108.308 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 178.9 6.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.53 1.805 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -91.26 -63.34 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 13' ' ' THR . 60.1 p 35.98 35.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.027 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.509 ' O ' ' CG2' ' A' ' 13' ' ' THR . 34.3 m170 48.98 -93.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.573 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 12' ' ' HIS . 6.8 t 47.52 21.27 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.413 ' N ' ' C ' ' A' ' 12' ' ' HIS . 14.0 mt-30 66.28 55.95 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.345 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -83.55 -155.21 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.176 . . . . 0.0 110.994 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.447 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -110.24 125.27 52.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 0.0 108.32 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.591 ' CD1' ' CD ' ' A' ' 44' ' ' GLU . 0.4 OUTLIER -60.36 -24.13 64.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 111.031 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.596 ' CD2' ' OH ' ' A' ' 38' ' ' TYR . 1.7 t-160 -164.65 72.46 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.589 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.467 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -153.24 -170.6 19.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.421 1.075 . . . . 0.0 111.06 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.442 ' HG1' ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -78.27 158.87 28.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 110.391 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.491 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 24.2 p -138.3 145.73 41.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 108.292 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -156.27 120.07 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.541 ' C ' ' CE1' ' A' ' 5' ' ' PHE . 6.5 t80 -109.48 101.25 10.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.172 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.659 ' N ' ' CE1' ' A' ' 5' ' ' PHE . 0.4 OUTLIER -66.61 78.66 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.369 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -39.81 -48.12 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.467 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 27.0 mt-30 -37.19 -45.85 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.318 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.556 ' O ' ' C ' ' A' ' 28' ' ' ASP . 5.3 mt-10 -122.76 24.88 8.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.556 ' C ' ' O ' ' A' ' 27' ' ' GLU . 15.6 p-10 27.62 46.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -102.78 107.29 54.0 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.66 6.16 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.583 1.833 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' A' ' 22' ' ' ARG . . . -148.1 117.31 6.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -106.09 176.19 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 108.249 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.5 t -140.3 154.09 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.6 t -73.51 166.97 22.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.441 1.088 . . . . 0.0 108.312 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.467 ' HB2' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -118.3 97.43 5.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.664 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 35' ' ' HIS . 1.3 t -35.73 124.53 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.056 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.06 0.39 6.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.596 ' OH ' ' CD2' ' A' ' 18' ' ' HIS . 36.4 m-85 -114.43 -168.12 1.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.556 ' CG2' ' N ' ' A' ' 47' ' ' ASP . 2.0 t -131.71 -72.12 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -32.8 148.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.471 1.107 . . . . 0.0 111.08 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.93 -62.86 1.36 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 0.786 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.514 ' CG ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -61.65 -18.76 60.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.403 1.065 . . . . 0.0 110.312 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 3.8 m 87.93 43.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.483 1.114 . . . . 0.0 108.291 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.591 ' CD ' ' CD1' ' A' ' 17' ' ' PHE . 3.6 tp10 -87.8 -36.56 17.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.392 1.058 . . . . 0.0 110.338 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -93.81 158.32 15.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.61 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 47' ' ' ASP . . . -123.45 109.42 13.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.556 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 5.6 t70 54.88 168.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.456 ' N ' ' CG ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -90.87 19.53 5.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.389 1.056 . . . . 0.0 109.263 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.436 ' N ' ' OD2' ' A' ' 47' ' ' ASP . 0.3 OUTLIER 59.96 69.19 0.72 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.326 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.453 ' CG2' ' N ' ' A' ' 2' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.453 ' N ' ' CG2' ' A' ' 1' ' ' VAL . 18.0 m -72.8 -34.14 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.403 ' N ' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -44.96 116.9 1.18 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.108 . . . . 0.0 110.009 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.613 ' CD2' ' OD1' ' A' ' 6' ' ' ASN . 6.3 t60 -128.33 -65.65 0.89 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.543 1.152 . . . . 0.0 109.6 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.553 ' CE1' ' HA ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER 61.0 133.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.613 ' OD1' ' CD2' ' A' ' 4' ' ' HIS . 35.5 m120 -148.57 139.75 23.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 0.1 OUTLIER 44.33 -167.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.355 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -175.08 138.96 0.6 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 108.24 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.469 ' HG2' ' CB ' ' A' ' 13' ' ' THR . 18.2 Cg_endo -75.0 -173.66 1.65 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.517 1.798 . . . . 0.0 110.962 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' HIS . 25.2 t0 -135.41 -48.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 12' ' ' HIS . 12.4 t -62.09 79.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.57 1.169 . . . . 0.0 109.957 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.505 ' O ' ' CB ' ' A' ' 13' ' ' THR . 12.2 m-70 61.47 129.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.578 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.606 ' O ' ' CE1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER 166.58 -72.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.431 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.61 ' O ' ' CD2' ' A' ' 15' ' ' PHE . 3.7 pm0 -100.1 -16.38 17.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.61 ' CD2' ' O ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER 42.73 100.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.976 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.273 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -163.71 128.76 2.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.175 . . . . 0.0 108.336 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.473 ' CB ' ' HA ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -91.76 -10.77 38.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.614 ' CD2' ' O ' ' A' ' 43' ' ' CYS . 0.8 OUTLIER -170.62 82.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.538 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -167.92 162.65 36.43 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.437 1.085 . . . . 0.0 110.978 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -75.79 120.61 21.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 0.758 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.473 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 22.6 p -80.82 135.64 35.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 108.29 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.553 ' HA ' ' CE1' ' A' ' 5' ' ' PHE . 0.5 OUTLIER -150.89 100.63 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -99.79 107.03 18.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.2 OUTLIER -68.9 77.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -42.77 -40.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.404 1.065 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.46 ' CG ' ' HB3' ' A' ' 4' ' ' HIS . 2.7 mm-40 -50.4 -40.3 49.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 24' ' ' LEU . 3.8 mm-40 -112.8 9.72 19.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER 37.19 45.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -121.11 130.62 24.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 134.6 17.96 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.52 1.8 . . . . 0.0 110.973 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -160.46 101.97 1.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.273 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 32.0 p -110.21 125.51 53.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 108.269 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 20' ' ' THR . 55.8 t -78.81 109.75 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.452 ' SG ' ' OH ' ' A' ' 38' ' ' TYR . 1.3 m -40.06 157.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.129 . . . . 0.0 108.25 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.528 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -103.42 97.9 7.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.606 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 35' ' ' HIS . 7.0 p -37.59 153.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.985 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.86 39.3 4.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.5 ' CA ' ' HA ' ' A' ' 46' ' ' ALA . 3.0 p90 -155.48 -146.43 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 0.75 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.473 HG22 ' CA ' ' A' ' 46' ' ' ALA . 66.6 t -105.38 -111.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.424 ' N ' ' CG1' ' A' ' 39' ' ' VAL . . . -166.44 -136.17 1.98 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.6 1.188 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 74.96 -84.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 0.76 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -138.95 14.02 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.614 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.1 OUTLIER 75.42 47.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 108.237 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.473 ' HA ' ' CB ' ' A' ' 17' ' ' PHE . 7.4 pt-20 -117.46 -33.02 4.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -103.23 145.05 30.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.57 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.5 ' HA ' ' CA ' ' A' ' 38' ' ' TYR . . . -138.54 118.12 13.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -51.71 159.23 0.82 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.505 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -118.13 -5.31 10.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 70.94 78.05 0.18 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' CB ' HD13 ' A' ' 48' ' ' LEU . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 117.057 -1.449 . . . . 0.0 109.233 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.504 ' C ' ' CG2' ' A' ' 2' ' ' VAL . 72.9 t . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.504 ' CG2' ' C ' ' A' ' 1' ' ' VAL . 2.8 t 85.33 -44.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.635 ' O ' ' CE2' ' A' ' 5' ' ' PHE . 31.2 t -40.1 95.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.635 ' O ' ' CD1' ' A' ' 5' ' ' PHE . 6.8 t60 43.39 81.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.572 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.635 ' CD1' ' O ' ' A' ' 4' ' ' HIS . 29.6 m-85 -156.09 48.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 8' ' ' CYS . 18.2 m-80 -134.03 -104.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.364 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' ASN . 20.6 m-20 39.09 30.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.275 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.512 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -49.2 113.23 2.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 108.267 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 18.3 Cg_endo -74.96 -170.89 0.84 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.548 1.815 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 12' ' ' HIS . 5.0 m-20 77.95 -2.44 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.591 ' C ' ' CG ' ' A' ' 12' ' ' HIS . 11.4 t 36.81 33.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.976 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.591 ' CG ' ' C ' ' A' ' 11' ' ' SER . 0.0 OUTLIER 60.97 115.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.608 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 14' ' ' GLN . 4.4 t -137.56 -50.2 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.414 ' N ' HG22 ' A' ' 13' ' ' THR . 69.5 mt-30 -143.29 60.27 1.4 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -133.98 -79.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 111.064 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -129.66 114.48 16.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 108.309 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -81.11 -11.99 59.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.646 ' NE2' ' CG ' ' A' ' 38' ' ' TYR . 33.5 p-80 -155.68 64.46 0.6 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.444 1.09 . . . . 0.0 109.601 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -164.84 175.65 40.76 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -77.81 168.19 20.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.536 0.786 . . . . 0.0 110.391 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.93 138.69 45.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 108.324 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 31' ' ' ALA . 11.9 ttt180 -149.32 138.27 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.595 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 17.4 t80 -140.45 109.28 6.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 111.048 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.54 ' CD2' ' NE2' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -66.67 91.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.578 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -49.93 -43.27 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.248 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.593 ' HG2' ' CE1' ' A' ' 5' ' ' PHE . 3.0 pt20 -56.02 -36.99 68.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 28' ' ' ASP . 2.3 mt-10 -101.45 4.04 40.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.595 ' HA ' ' CZ ' ' A' ' 23' ' ' PHE . 19.8 m-20 36.69 40.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.433 ' CE ' ' HB3' ' A' ' 27' ' ' GLU . 12.5 ptpt -123.08 125.48 26.24 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 143.5 29.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.485 1.782 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -162.24 93.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.79 140.66 29.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 108.264 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 20' ' ' THR . 97.4 t -103.62 153.64 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.502 ' SG ' ' OH ' ' A' ' 38' ' ' TYR . 1.3 m -77.13 -169.32 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.588 1.18 . . . . 0.0 108.271 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -122.24 -88.44 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.612 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 1.5 m 159.3 160.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.957 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.72 23.95 51.43 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.646 ' CG ' ' NE2' ' A' ' 18' ' ' HIS . 11.2 p90 -135.54 -147.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 111.075 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 45' ' ' HIS . 2.0 m -100.2 -107.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.374 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.84 -140.47 2.88 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.455 ' O ' ' CZ ' ' A' ' 42' ' ' ARG . . . 73.01 -86.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 0.779 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.458 ' O ' ' HB2' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -148.25 21.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.51 ' C ' ' CE1' ' A' ' 18' ' ' HIS . 95.1 m 70.72 39.62 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 108.341 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -84.2 -29.96 26.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.487 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 2.1 m80 -137.14 164.78 27.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.596 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.473 ' HA ' ' HB2' ' A' ' 38' ' ' TYR . . . -145.29 130.93 18.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.73 31.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 52.48 -156.96 0.15 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.3 mp -121.82 -107.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 116.979 -1.486 . . . . 0.0 109.259 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.435 ' O ' ' CB ' ' A' ' 3' ' ' SER . 74.4 t 64.36 -88.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.45 ' O ' ' HB3' ' A' ' 4' ' ' HIS . 0.2 OUTLIER 163.38 -170.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.942 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.646 ' O ' ' CG ' ' A' ' 5' ' ' PHE . 7.3 t-160 71.39 -103.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.573 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.646 ' CG ' ' O ' ' A' ' 4' ' ' HIS . 18.4 p90 43.64 -171.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.518 ' O ' ' CB ' ' A' ' 7' ' ' ASP . 0.9 OUTLIER -150.38 19.07 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 1.4 m-20 82.96 151.64 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.339 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 14.9 p -139.17 140.39 26.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 108.334 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.439 ' O ' ' OD1' ' A' ' 10' ' ' ASP . 18.3 Cg_endo -75.0 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.555 1.818 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.516 ' CG ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER 61.58 14.63 6.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.507 ' C ' ' O ' ' A' ' 10' ' ' ASP . 80.4 p -30.63 -41.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.5 OUTLIER -132.41 99.52 4.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.607 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 12' ' ' HIS . 27.3 m -157.36 -67.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.403 1.065 . . . . 0.0 110.437 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -161.24 30.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.59 1.181 . . . . 0.0 110.336 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.413 ' CZ ' ' HB2' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -117.1 -34.83 4.25 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.403 1.064 . . . . 0.0 111.011 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.222 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -160.95 129.59 4.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 108.301 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.492 ' O ' ' CB ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -44.24 -26.36 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.563 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 0.7 OUTLIER 162.81 85.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.565 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.464 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -138.0 -168.25 11.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.456 1.098 . . . . 0.0 111.032 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.601 ' OG1' ' CD2' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -95.11 104.51 16.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 0.794 . . . . 0.0 110.422 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 1.339 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 42.4 t -74.03 140.23 45.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 108.285 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -161.11 121.62 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.926 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.415 ' O ' ' CB ' ' A' ' 5' ' ' PHE . 4.6 t80 -96.02 113.75 25.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -83.22 104.92 13.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.459 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -61.05 -38.61 79.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -34.2 -50.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' CG ' ' HB2' ' A' ' 29' ' ' LYS . 1.2 pm0 -118.49 1.23 11.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 24' ' ' LEU . 10.6 t70 53.14 56.64 7.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 26.9 mttt -126.7 116.04 22.63 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.413 ' HB2' ' CZ ' ' A' ' 15' ' ' PHE . 18.2 Cg_endo -75.01 125.08 9.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -156.97 154.19 29.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.222 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -107.54 -171.26 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 108.292 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.728 ' CG1' ' O ' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -147.09 56.24 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.245 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.514 ' O ' ' O ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER 34.85 -154.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 108.366 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.601 ' CD2' ' OG1' ' A' ' 20' ' ' THR . 0.0 OUTLIER -162.54 40.29 0.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.565 1.166 . . . . 0.0 109.626 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 35' ' ' HIS . 2.1 p 48.79 -179.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 48.49 22.23 2.45 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.105 . . . . 0.0 110.978 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.602 ' CD2' ' SG ' ' A' ' 43' ' ' CYS . 3.6 m-85 -129.25 -167.22 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 0.758 . . . . 0.0 110.94 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 t -148.25 -166.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.34 -163.43 54.12 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.413 1.07 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.4 -24.8 10.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.588 0.816 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.62 11.2 16.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 110.283 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.602 ' SG ' ' CD2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER 77.1 17.73 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 108.342 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -58.61 -44.01 89.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.75 173.41 7.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -153.36 120.59 5.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.316 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -43.89 157.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.83 17.85 7.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.31 51.85 1.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 117.005 -1.474 . . . . 0.0 109.316 -179.925 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.17 -101.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.1 p 51.55 -179.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.497 ' N ' ' HD1' ' A' ' 4' ' ' HIS . 0.2 OUTLIER 61.65 50.41 4.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.608 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.571 ' CE2' ' HG ' ' A' ' 24' ' ' LEU . 1.1 t80 -179.14 64.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 6' ' ' ASN . 0.3 OUTLIER -138.51 -75.96 0.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' ASN . 0.6 OUTLIER -38.63 114.36 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 1.6 p -133.99 119.19 14.54 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 108.282 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 170.86 19.47 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.542 1.811 . . . . 0.0 111.027 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 12' ' ' HIS . 0.7 OUTLIER -77.16 -65.42 0.95 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.9 t -46.49 96.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.977 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.581 ' CD2' ' HG3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER 74.69 156.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.618 1.199 . . . . 0.0 109.636 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.555 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER 86.67 -23.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -104.39 21.31 16.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.283 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' A' ' 12' ' ' HIS . 22.6 m-85 -63.25 74.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.097 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -162.27 114.8 1.7 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 108.275 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -72.4 -13.22 61.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.433 ' O ' ' HB2' ' A' ' 35' ' ' HIS . 3.6 t-160 -163.57 71.54 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 109.582 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.472 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -168.93 165.16 38.7 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -72.36 163.94 27.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 0.805 . . . . 0.0 110.413 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.431 ' HB2' ' CG ' ' A' ' 14' ' ' GLN . 3.7 t -121.6 139.3 53.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 108.275 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.561 ' HG2' ' CD1' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -152.57 147.85 26.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 110.349 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.577 ' CE2' ' HA ' ' A' ' 28' ' ' ASP . 57.3 t80 -133.42 115.13 14.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.571 ' HG ' ' CE2' ' A' ' 5' ' ' PHE . 0.4 OUTLIER -67.19 72.21 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.353 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -39.84 -43.61 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.467 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 27.4 mt-30 -46.85 -43.99 19.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -113.99 15.37 18.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.285 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.577 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 7.2 p-10 36.35 47.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.42 141.76 30.24 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.587 1.179 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.581 ' HG3' ' CD2' ' A' ' 12' ' ' HIS . 18.3 Cg_endo -75.06 140.3 25.12 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.514 1.797 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -162.74 100.63 1.02 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.472 1.108 . . . . 0.0 109.256 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.097 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -99.4 139.59 34.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 108.32 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' THR . 39.6 t -92.99 159.69 2.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.454 ' SG ' ' CB ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -68.95 -155.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 108.309 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.546 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -142.89 69.69 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.569 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.2 t 89.59 66.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.095 . . . . 0.0 110.013 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 40.99 39.61 2.05 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.092 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.586 ' CD1' ' HB3' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -75.6 163.93 26.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 110.889 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 40' ' ' GLY . 96.3 t -135.52 -110.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.43 ' N ' ' CG1' ' A' ' 39' ' ' VAL . . . 58.21 -136.52 50.88 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.458 1.099 . . . . 0.0 110.95 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.45 ' O ' ' CB ' ' A' ' 42' ' ' ARG . . . -117.24 101.28 8.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.478 0.752 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 41' ' ' ALA . 3.4 ttt180 80.48 29.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 0.0 110.317 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 42' ' ' ARG . 8.3 m 67.98 39.68 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 108.281 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -87.56 -43.54 11.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.544 1.153 . . . . 0.0 110.323 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.418 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 6.8 m80 -104.94 -176.17 3.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.586 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . . . -132.05 113.5 13.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' ALA . 14.1 t70 -40.27 157.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 tp 78.35 158.78 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.11 -107.43 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 116.988 -1.482 . . . . 0.0 109.348 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.496 ' O ' ' CG1' ' A' ' 1' ' ' VAL . 5.9 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.2 t -67.25 160.65 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.3 p -40.92 161.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.993 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.573 ' CD2' ' HG2' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -146.43 152.15 38.58 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 109.61 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' A' ' 6' ' ' ASN . 3.3 t80 57.17 157.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.6 ' O ' ' CE2' ' A' ' 5' ' ' PHE . 15.0 m120 -120.1 -91.67 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 5' ' ' PHE . 0.7 OUTLIER -164.8 27.76 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 56.71 93.2 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 108.32 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -178.89 4.46 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.478 1.778 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 12' ' ' HIS . 1.6 p30 -54.96 -19.74 7.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.46 ' C ' ' CD2' ' A' ' 12' ' ' HIS . 56.6 m -37.2 -32.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.508 ' CE1' ' HB3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -151.43 84.93 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.552 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.4 t -81.66 -9.71 59.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.411 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 4.7 mt-30 -118.36 -115.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.417 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 2.3 t80 65.21 5.43 3.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.206 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -162.51 172.18 15.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 108.318 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 44' ' ' GLU . 5.1 t80 -85.64 -57.89 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.763 ' CD2' ' CZ ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -164.52 64.55 0.14 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.45 1.094 . . . . 0.0 109.642 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.401 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -126.65 -163.55 11.52 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.547 ' HB ' ' CG2' ' A' ' 33' ' ' VAL . 1.7 m -79.47 -175.12 4.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.21 147.15 36.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 108.355 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -162.39 116.71 1.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.41 ' CG ' ' HE1' ' A' ' 12' ' ' HIS . 2.0 t80 -117.24 103.33 10.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' ASP . 1.2 tp -77.31 77.36 3.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.413 1.071 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -48.47 -46.52 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.573 ' HG2' ' CD2' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -38.73 -44.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 28' ' ' ASP . 6.5 mm-40 -120.56 22.05 11.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 27' ' ' GLU . 60.5 t0 35.51 71.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -122.61 86.2 49.13 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.372 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.508 ' HB3' ' CE1' ' A' ' 12' ' ' HIS . 18.4 Cg_endo -74.97 113.14 3.72 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.455 1.766 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -161.83 151.4 16.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.206 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -109.01 -178.8 3.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 108.333 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.547 ' CG2' ' HB ' ' A' ' 20' ' ' THR . 1.8 m -130.33 164.61 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.24 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.86 166.86 22.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 108.245 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.401 ' HB2' ' HA2' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -118.04 15.28 14.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.613 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m 60.15 153.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 109.939 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.85 -10.15 60.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.763 ' CZ ' ' CD2' ' A' ' 18' ' ' HIS . 3.3 p90 -161.98 -170.52 2.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 111.037 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 38' ' ' TYR . 15.6 m -155.32 -138.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.188 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.44 ' O ' ' CB ' ' A' ' 41' ' ' ALA . . . 113.55 18.56 6.99 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 40' ' ' GLY . . . 79.84 -55.29 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 0.774 . . . . 0.0 109.26 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.452 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -103.21 -4.37 24.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 19.0 m 84.2 69.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 108.22 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 17.3 pt-20 -132.95 -41.79 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.216 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 12.8 m-70 -92.38 150.15 20.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.467 ' HA ' ' HB2' ' A' ' 38' ' ' TYR . . . -117.13 112.5 20.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 46' ' ' ALA . 12.2 t70 -41.14 161.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.358 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.439 ' CD1' ' N ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -167.31 -114.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.439 ' N ' ' CD1' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -121.9 50.54 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 CA-C-O 117.01 -1.471 . . . . 0.0 109.327 -179.943 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.828 ' HA ' HG12 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -135.55 178.2 7.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -153.89 -87.62 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.32 101.83 2.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.582 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -72.29 -48.92 9.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 108.281 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 8' ' ' CYS . 18.1 Cg_endo -75.03 129.08 11.98 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' A' ' 11' ' ' SER . 5.0 m-20 -167.15 35.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' A' ' 10' ' ' ASP . 1.4 m 88.13 -42.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 110.047 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.404 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 28.2 m80 -70.08 -7.39 40.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.56 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -62.8 -10.88 14.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.419 ' OE1' ' HA ' ' A' ' 14' ' ' GLN . 2.5 tp-100 -77.17 2.03 16.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.584 ' HA ' HH12 ' A' ' 42' ' ' ARG . 7.2 m-85 -86.95 19.41 3.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 1.133 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -150.88 131.59 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 108.309 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.598 ' CG ' ' HA ' ' A' ' 44' ' ' GLU . 25.9 t80 -82.71 -41.02 19.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.571 ' ND1' ' CZ ' ' A' ' 38' ' ' TYR . 3.1 t-80 -170.85 78.65 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.603 1.189 . . . . 0.0 109.611 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.419 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -157.97 -167.25 18.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.562 1.164 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -73.54 152.13 40.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 0.785 . . . . 0.0 110.416 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.444 ' C ' ' CG ' ' A' ' 22' ' ' ARG . 4.2 t -127.8 140.49 52.01 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.502 1.126 . . . . 0.0 108.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.444 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 0.7 OUTLIER -156.83 118.09 3.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.407 ' O ' ' CB ' ' A' ' 5' ' ' PHE . 82.7 t80 -115.8 115.89 27.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 111.045 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.92 HD23 ' HB2' ' A' ' 27' ' ' GLU . 1.3 tp -74.75 101.12 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.828 HG12 ' HA ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -57.21 -83.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.348 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.742 ' H ' HG13 ' A' ' 25' ' ' VAL . 13.2 mt-30 -34.82 -35.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.92 ' HB2' HD23 ' A' ' 24' ' ' LEU . 2.3 mt-10 -115.66 52.83 0.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.63 ' C ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -18.35 95.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' GLU . 14.5 mttm -154.21 97.71 2.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 119.9 5.83 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.503 1.791 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -155.66 117.86 4.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 1.133 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -109.61 128.41 55.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 108.349 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 45.8 t -81.92 164.46 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 109.365 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.464 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 1.5 t -65.33 -155.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 108.236 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.502 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -131.31 -76.33 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.579 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.7 t 159.26 145.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.051 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.53 16.22 43.24 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.426 1.079 . . . . 0.0 111.034 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.571 ' CZ ' ' ND1' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -105.67 -168.56 1.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 0.793 . . . . 0.0 110.981 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.551 ' CG2' ' N ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -160.97 173.59 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.26 160.39 14.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.56 -39.54 73.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.584 HH12 ' HA ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -123.71 16.48 9.49 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 5.8 m 87.08 35.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 108.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.598 ' HA ' ' CG ' ' A' ' 17' ' ' PHE . 30.5 mm-40 -74.82 -38.62 62.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.445 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 1.1 m80 -88.92 161.81 16.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.578 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 47' ' ' ASP . . . -126.79 105.16 8.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.551 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.541 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.383 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.568 ' O ' ' CG ' ' A' ' 5' ' ' PHE . 77.2 t80 36.87 39.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.422 ' C ' ' N ' ' A' ' 8' ' ' CYS . 28.0 t30 -159.05 166.01 32.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 48.1 23.31 0.5 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.409 1.068 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 1.329 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -51.21 177.35 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 108.296 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 8' ' ' CYS . 18.3 Cg_endo -75.03 -168.4 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.591 ' O ' ' CB ' ' A' ' 11' ' ' SER . 30.2 t0 -107.01 65.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.591 ' CB ' ' O ' ' A' ' 10' ' ' ASP . 2.3 t 92.29 -39.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -42.11 -27.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.608 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.621 HG21 ' HB2' ' A' ' 21' ' ' CYS . 0.2 OUTLIER -46.79 -84.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.677 ' C ' ' CG ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -107.51 3.64 25.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 0.0 110.275 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.677 ' CG ' ' C ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER 68.73 114.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 1.066 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -146.92 170.19 17.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.334 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.557 ' CG ' ' HB2' ' A' ' 44' ' ' GLU . 4.1 m-85 -109.47 -23.11 11.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.578 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 3.3 t-80 -176.08 80.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 109.639 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.423 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -158.6 167.23 34.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.521 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -74.89 124.86 27.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 0.778 . . . . 0.0 110.369 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 1.329 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -81.93 144.11 31.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 108.301 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.428 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -162.62 110.24 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.438 ' O ' ' N ' ' A' ' 25' ' ' VAL . 0.3 OUTLIER -104.56 104.44 14.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 111.064 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.552 HD12 ' HB2' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -67.95 68.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.541 ' CG1' ' HA ' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -41.55 -42.6 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.552 ' HB2' HD12 ' A' ' 24' ' ' LEU . 5.2 mt-30 -43.33 -43.59 5.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 28' ' ' ASP . 8.0 mt-10 -118.67 14.26 13.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' LEU . 9.4 t70 37.77 67.66 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.598 1.186 . . . . 0.0 109.363 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -135.61 119.15 12.8 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.448 ' HB2' ' CA ' ' A' ' 14' ' ' GLN . 18.3 Cg_endo -75.02 131.17 13.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 0.0 111.061 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -163.12 132.05 4.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.228 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 1.066 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 24.5 p -133.18 131.6 40.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.307 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 20' ' ' THR . 5.3 t -80.54 157.52 4.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -60.16 -169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 108.36 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -148.69 -86.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.567 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -70.92 61.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.083 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 36' ' ' SER . . . 34.55 41.01 0.21 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 18' ' ' HIS . 51.1 m-85 -72.0 -159.8 0.05 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 0.769 . . . . 0.0 110.98 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 40' ' ' GLY . 11.2 t -73.12 -124.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.374 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.464 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -148.59 -52.21 0.02 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' GLY . . . -38.19 -89.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 0.786 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -96.22 -11.71 25.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.1 m 61.03 31.24 19.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 108.281 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.557 ' HB2' ' CG ' ' A' ' 17' ' ' PHE . 16.6 pt-20 -92.58 -33.1 14.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.46 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -92.71 162.34 14.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.571 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.01 105.34 16.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.638 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -118.53 92.18 3.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 111.019 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 7' ' ' ASP . 0.3 OUTLIER -100.56 -77.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 8' ' ' CYS . 2.1 m-20 -50.67 -179.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.571 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER 158.44 -49.75 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 108.26 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 8' ' ' CYS . 18.4 Cg_endo -74.95 123.39 7.87 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 111.048 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.414 ' O ' ' CB ' ' A' ' 11' ' ' SER . 5.2 m-20 -107.97 44.78 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.605 1.191 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.438 ' C ' ' CG ' ' A' ' 12' ' ' HIS . 2.3 p 80.34 25.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 110.034 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.438 ' CG ' ' C ' ' A' ' 11' ' ' SER . 0.0 OUTLIER 52.44 95.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.693 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.514 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 11.6 p -106.05 -63.36 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.403 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.514 ' CG ' ' O ' ' A' ' 13' ' ' THR . 5.4 mt-30 -170.61 37.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.32 -36.39 3.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -161.36 133.4 5.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 108.32 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.522 ' CB ' ' HA ' ' A' ' 44' ' ' GLU . 0.1 OUTLIER -122.03 -18.32 6.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.636 ' CD2' ' O ' ' A' ' 18' ' ' HIS . 33.7 p-80 -158.77 65.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.576 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -162.53 179.52 37.78 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.479 1.112 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -76.08 154.38 35.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 110.396 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -120.53 140.38 51.55 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.599 1.187 . . . . 0.0 108.329 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.48 ' HD2' HG23 ' A' ' 33' ' ' VAL . 1.4 mtt-85 -155.1 109.35 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 5' ' ' PHE . 0.6 OUTLIER -111.31 107.81 17.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 28' ' ' ASP . 1.7 tp -75.1 70.39 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -43.55 -46.3 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.192 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.446 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -45.73 -33.07 2.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.43 1.081 . . . . 0.0 110.243 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 28' ' ' ASP . 0.3 OUTLIER -124.88 17.81 8.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.27 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' GLU . 76.6 m-20 35.69 53.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -114.75 93.16 32.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 120.72 6.2 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.526 1.803 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -158.3 125.03 4.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -112.18 129.15 56.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 108.259 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.48 HG23 ' HD2' ' A' ' 22' ' ' ARG . 51.1 t -81.38 149.21 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.226 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.423 ' SG ' ' OH ' ' A' ' 38' ' ' TYR . 98.2 m -66.51 -170.22 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 108.275 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.569 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -126.17 -85.16 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.56 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.7 p 153.57 161.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 110.029 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.81 27.9 61.93 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.538 1.149 . . . . 0.0 111.039 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.604 ' CE2' ' O ' ' A' ' 39' ' ' VAL . 38.8 p90 -137.12 -156.75 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.771 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.604 ' O ' ' CE2' ' A' ' 38' ' ' TYR . 2.1 t -92.33 -142.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.343 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.725 ' O ' ' HB2' ' A' ' 41' ' ' ALA . . . -146.87 137.46 6.72 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 40' ' ' GLY . . . 159.6 -80.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.406 ' C ' ' SG ' ' A' ' 43' ' ' CYS . 3.8 mpp_? -133.32 6.13 3.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.607 ' C ' ' CE1' ' A' ' 18' ' ' HIS . 0.3 OUTLIER 72.06 43.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 108.317 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.522 ' HA ' ' CB ' ' A' ' 17' ' ' PHE . 9.3 tt0 -115.76 -28.95 6.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.608 1.192 . . . . 0.0 110.303 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.489 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 3.2 m170 -109.48 144.66 37.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.57 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' A' ' 38' ' ' TYR . . . -141.46 123.7 15.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 t70 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.923 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.433 ' HB3' ' CG ' ' A' ' 26' ' ' GLN . 2.6 t-160 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.549 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -117.4 163.87 15.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 7' ' ' ASP . 63.2 t30 -140.91 -65.1 0.45 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.6 ' OD2' ' CD2' ' A' ' 23' ' ' PHE . 5.9 m-20 -59.86 -153.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.486 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER 170.01 -54.33 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 108.309 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.52 ' HA ' ' CE2' ' A' ' 15' ' ' PHE . 18.5 Cg_endo -74.92 127.8 11.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.577 1.83 . . . . 0.0 111.025 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.411 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.2 OUTLIER -127.83 24.35 6.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 109.353 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 p 64.72 65.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 59.81 95.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.593 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 14' ' ' GLN . 0.5 OUTLIER 178.95 133.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 13' ' ' THR . 40.6 mt-30 36.45 41.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.52 ' CE2' ' HA ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -101.78 -162.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 111.039 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -155.19 143.75 20.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.405 1.066 . . . . 0.0 108.338 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -28.32 69.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.797 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -169.2 71.78 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.616 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 33' ' ' VAL . . . -132.15 -142.76 5.0 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.068 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.848 HG23 ' HE2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -124.3 99.09 6.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 0.745 . . . . 0.0 110.448 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.434 ' C ' ' CG ' ' A' ' 22' ' ' ARG . 17.4 p -73.23 136.85 44.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 108.308 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.434 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 2.1 mtt-85 -155.53 111.09 3.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.617 ' CE2' ' HA ' ' A' ' 28' ' ' ASP . 71.1 t80 -92.04 111.15 22.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.71 HD12 ' HB2' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -67.42 72.48 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -39.99 -40.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.71 ' HB2' HD12 ' A' ' 24' ' ' LEU . 17.0 mt-30 -43.82 -44.77 7.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.34 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.9 mp0 -118.04 8.34 12.45 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.456 1.097 . . . . 0.0 110.366 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.617 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 0.0 OUTLIER 44.18 72.27 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.079 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.471 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 2.6 mtpp -145.34 129.18 8.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 119.08 5.5 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.538 1.809 . . . . 0.0 111.042 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.94 112.38 5.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -101.03 -173.81 2.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 108.314 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 20' ' ' THR . 42.5 t -150.55 151.23 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.472 ' SG ' ' CD2' ' A' ' 38' ' ' TYR . 1.3 m -62.98 169.47 3.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 108.264 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.848 ' HE2' HG23 ' A' ' 20' ' ' THR . 0.0 OUTLIER -119.49 -40.75 2.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.647 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.9 p 159.49 144.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.392 1.057 . . . . 0.0 109.968 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.13 56.21 19.47 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.617 ' CE1' ' O ' ' A' ' 43' ' ' CYS . 4.0 m-85 -131.97 -176.73 4.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 0.784 . . . . 0.0 111.065 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.577 HG22 ' CA ' ' A' ' 47' ' ' ASP . 86.7 t -94.99 -99.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.361 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.525 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -174.23 44.75 0.14 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.421 1.076 . . . . 0.0 111.063 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -134.71 -107.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 0.724 . . . . 0.0 109.385 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -90.04 -1.33 57.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.617 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 79.2 m 71.18 45.03 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 108.23 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -104.96 -40.16 6.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.494 ' C ' HG23 ' A' ' 39' ' ' VAL . 10.4 m-70 -104.38 160.31 15.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.549 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.565 ' HA ' ' HA ' ' A' ' 38' ' ' TYR . . . -110.77 100.23 9.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.577 ' CA ' HG22 ' A' ' 39' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.582 ' CG ' ' HB3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.65 ' CZ ' HD21 ' A' ' 24' ' ' LEU . 1.6 m-85 -133.83 97.72 3.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.46 ' O ' ' C ' ' A' ' 7' ' ' ASP . 3.0 m120 -111.58 -151.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.517 ' HB2' ' CB ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER 36.29 -150.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.558 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER 166.91 -50.42 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 108.277 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 8' ' ' CYS . 18.3 Cg_endo -74.97 119.94 5.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.03 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.456 ' OD2' ' CA ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -104.78 -8.2 18.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 12' ' ' HIS . 0.4 OUTLIER 38.17 77.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.979 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.631 ' O ' HG22 ' A' ' 13' ' ' THR . 0.3 OUTLIER 89.63 168.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.615 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER 88.32 -37.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 110.393 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 13' ' ' THR . 2.0 mt-30 -175.72 -96.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.478 ' CE1' ' O ' ' A' ' 8' ' ' CYS . 3.0 t80 45.71 -173.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 1.203 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -124.82 -175.57 3.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.258 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.598 ' CE2' ' OE2' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -112.84 -41.91 3.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.71 ' CD2' ' CZ ' ' A' ' 38' ' ' TYR . 30.5 p-80 -151.02 62.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.566 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.416 ' HA2' ' CG ' ' A' ' 35' ' ' HIS . . . -150.44 -166.26 13.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 33' ' ' VAL . 0.8 OUTLIER -75.11 154.75 37.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 0.779 . . . . 0.0 110.318 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 5.5 p -139.44 137.71 35.85 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.52 1.138 . . . . 0.0 108.267 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.446 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 4.5 mtt-85 -157.17 101.45 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.517 ' CB ' ' HB2' ' A' ' 7' ' ' ASP . 1.6 t80 -80.12 117.16 20.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.65 HD21 ' CZ ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -73.83 86.29 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.492 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -56.51 -48.94 79.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.582 ' HB3' ' CG ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -49.82 -34.03 18.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.517 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 2.7 mm-40 -109.09 10.78 25.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 110.357 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 24' ' ' LEU . 5.7 m-20 35.87 45.61 0.29 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 3.4 mmmt -135.75 129.19 18.23 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.401 1.063 . . . . 0.0 109.386 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 119.2 5.55 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.514 1.797 . . . . 0.0 111.035 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -130.29 95.94 4.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 1.203 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -97.36 147.61 24.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.279 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' THR . 68.1 t -108.93 157.73 9.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.99 176.31 8.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 108.256 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.417 ' HB3' ' OH ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -103.7 -3.11 25.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.624 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t 74.96 133.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.969 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.92 14.76 30.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.71 ' CZ ' ' CD2' ' A' ' 18' ' ' HIS . 11.0 m-30 -110.77 -163.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 0.797 . . . . 0.0 111.078 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.662 HG12 ' N ' ' A' ' 40' ' ' GLY . 50.7 t -78.52 -97.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.662 ' N ' HG12 ' A' ' 39' ' ' VAL . . . 170.49 40.73 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.09 -84.02 0.56 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.74 . . . . 0.0 109.389 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -127.85 2.32 6.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 8.8 m 82.65 69.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.289 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.598 ' OE2' ' CE2' ' A' ' 17' ' ' PHE . 4.9 tt0 -144.32 -42.9 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.266 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.16 157.66 18.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.569 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.43 110.56 14.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 t0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.942 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.547 ' CD1' ' HB2' ' A' ' 22' ' ' ARG . 12.2 p90 -106.88 151.19 25.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -138.75 -90.86 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.411 ' O ' ' CB ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -88.03 147.66 24.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.2 p -130.94 141.61 42.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 108.297 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.571 ' HD3' ' CD2' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.02 -97.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.45 1.763 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.541 ' HA ' ' CD1' ' A' ' 15' ' ' PHE . 1.5 p30 156.57 46.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -52.04 -173.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.943 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -91.12 30.52 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.621 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.538 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 1.5 t -86.39 18.21 3.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER 89.12 -22.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.558 ' CE1' ' SG ' ' A' ' 21' ' ' CYS . 1.6 t80 31.48 -145.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 110.968 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 1.288 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -150.01 154.35 38.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 108.316 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.573 ' CG ' ' HB3' ' A' ' 44' ' ' GLU . 8.7 m-85 -94.56 -32.25 13.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.963 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 3.5 t-160 -163.5 69.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.59 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.99 -175.64 15.56 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -77.15 106.62 8.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.745 . . . . 0.0 110.417 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.558 ' SG ' ' CE1' ' A' ' 15' ' ' PHE . 4.1 t -92.77 142.18 27.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 108.249 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.547 ' HB2' ' CD1' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -157.72 108.73 2.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 0.0 110.341 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.571 ' CD2' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -87.68 107.88 18.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.997 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 28' ' ' ASP . 1.4 mt -72.87 75.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.485 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -46.82 -49.15 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.485 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -54.47 -26.71 32.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 28' ' ' ASP . 3.0 tp10 -108.2 2.79 23.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.591 1.182 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER 37.12 60.7 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.26 123.94 1.99 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 124.73 8.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.46 ' O ' ' CG ' ' A' ' 22' ' ' ARG . . . -146.38 122.46 10.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.172 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 1.288 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 31.0 p -116.25 -170.6 1.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 108.314 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 20' ' ' THR . 53.6 t -152.34 149.17 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 39' ' ' VAL . 12.5 t -52.94 167.91 0.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 108.257 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -107.86 150.81 26.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.524 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.41 132.73 49.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.602 1.189 . . . . 0.0 109.965 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.37 56.35 14.05 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.562 1.164 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.614 ' CD2' ' O ' ' A' ' 45' ' ' HIS . 0.1 OUTLIER -144.11 -160.58 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 111.004 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.459 HG13 ' O ' ' A' ' 45' ' ' HIS . 13.6 m -98.95 -157.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -120.06 -148.65 8.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.121 . . . . 0.0 110.956 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 57.81 -91.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.4 HH21 ' HB2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -111.94 -12.6 13.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.348 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.1 m 68.17 49.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 108.367 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.573 ' HB3' ' CG ' ' A' ' 17' ' ' PHE . 2.7 pm0 -93.16 -25.1 18.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.572 1.17 . . . . 0.0 110.272 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.614 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 3.0 m170 -107.2 160.36 15.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.646 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.41 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . . . -111.35 103.88 12.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.403 ' OD2' ' O ' ' A' ' 38' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.822 ' HB2' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -103.62 165.46 11.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.605 ' O ' ' CZ ' ' A' ' 5' ' ' PHE . 2.6 m-80 -140.7 -88.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.58 164.52 19.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -111.38 103.41 54.97 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 108.264 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 10' ' ' ASP . 18.2 Cg_endo -75.08 -172.98 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -39.39 -44.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.435 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 20.0 t -38.87 158.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.61 ' CE1' ' SG ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER 82.71 -48.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.581 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 14' ' ' GLN . 73.0 p 48.8 -89.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.357 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 12' ' ' HIS . 2.4 mp0 -93.79 -104.34 0.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.476 ' CB ' ' O ' ' A' ' 14' ' ' GLN . 0.4 OUTLIER 73.82 -3.01 2.61 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.524 1.14 . . . . 0.0 110.956 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -165.01 143.24 6.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 108.277 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.622 ' CD2' ' O ' ' A' ' 44' ' ' GLU . 1.3 m-85 -69.41 -30.04 67.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.792 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -177.52 80.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.598 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -146.89 -172.09 16.81 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.55 168.95 19.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 110.418 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.61 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 44.3 t -126.18 148.74 49.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 108.279 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.11 137.92 14.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.255 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -129.25 109.23 10.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.822 HD12 ' HB2' ' A' ' 5' ' ' PHE . 2.0 tp -77.17 81.82 3.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.427 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -42.74 -45.01 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.51 ' OE1' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -50.0 -40.5 44.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' ASP . 10.0 mt-10 -100.62 4.35 43.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 27' ' ' GLU . 46.7 t0 36.63 48.64 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 5.4 pttp -140.05 139.08 20.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 29' ' ' LYS . 18.4 Cg_endo -74.92 148.84 36.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.561 1.822 . . . . 0.0 111.074 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.45 109.38 1.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.602 1.189 . . . . 0.0 109.23 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -96.8 167.19 11.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 108.303 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.6 t -131.9 156.54 42.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 m -64.85 -177.53 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 108.323 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -125.12 12.41 8.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.566 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 p 79.14 143.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.9 29.95 62.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.622 ' CD2' ' HB3' ' A' ' 43' ' ' CYS . 0.1 OUTLIER -105.35 -175.83 2.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 0.746 . . . . 0.0 111.063 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.527 HG12 ' H ' ' A' ' 40' ' ' GLY . 1.9 t -153.71 -142.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.527 ' H ' HG12 ' A' ' 39' ' ' VAL . . . 38.25 -129.02 1.69 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 42' ' ' ARG . . . -147.23 146.25 29.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER 75.97 -1.15 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.622 ' HB3' ' CD2' ' A' ' 38' ' ' TYR . 9.6 m 81.25 18.41 0.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 108.269 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.622 ' O ' ' CD2' ' A' ' 17' ' ' PHE . 34.1 mt-10 -68.31 -52.3 35.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.488 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 5.1 m170 -88.05 169.55 11.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.53 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.604 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -151.89 147.14 26.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.511 ' N ' HG23 ' A' ' 39' ' ' VAL . 2.1 p-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.407 1.067 . . . . 0.0 109.351 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.579 ' N ' HG12 ' A' ' 25' ' ' VAL . 2.4 p80 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -86.47 140.51 29.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.37 -94.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.4 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 17.7 m-20 -86.0 1.05 51.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.646 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 21.2 p 42.71 52.7 8.01 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 108.274 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.646 ' HD3' ' N ' ' A' ' 8' ' ' CYS . 18.4 Cg_endo -74.98 138.0 22.51 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.459 1.768 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.565 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 1.3 p30 150.11 31.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 10' ' ' ASP . 4.9 t 60.52 138.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.562 ' HB3' ' CD1' ' A' ' 15' ' ' PHE . 25.2 m80 73.77 8.75 4.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.613 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.646 HG22 ' O ' ' A' ' 8' ' ' CYS . 72.5 p -34.82 -71.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.478 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 32' ' ' CYS . 35.9 mt-30 -44.95 -70.6 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 110.387 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 12' ' ' HIS . 0.0 OUTLIER 67.04 10.15 7.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 1.172 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -146.44 121.11 9.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 108.26 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -72.91 -1.87 18.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.655 ' CD2' ' CE1' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -169.8 67.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.571 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.467 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -171.39 179.17 43.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -89.5 172.04 9.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 110.371 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 15.2 t -126.28 146.89 49.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 108.314 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 31' ' ' ALA . 11.0 ttt180 -153.06 123.34 7.09 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.63 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 43.2 t80 -140.52 109.79 6.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' ASP . 9.8 tp -76.25 79.89 3.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.614 HG23 ' HE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -41.68 -40.57 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.34 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.406 ' CG ' ' HA ' ' A' ' 4' ' ' HIS . 6.5 mt-30 -44.77 -44.79 9.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 28' ' ' ASP . 2.1 mm-40 -119.78 17.1 12.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 110.285 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.63 ' HA ' ' CZ ' ' A' ' 23' ' ' PHE . 71.4 m-20 38.2 66.79 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.5 mtmm -118.17 95.63 48.65 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.578 1.173 . . . . 0.0 109.307 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 123.19 7.74 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.542 1.812 . . . . 0.0 111.056 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 22' ' ' ARG . . . -162.38 112.75 1.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 1.172 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -98.16 149.6 22.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 108.319 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.532 HG12 ' N ' ' A' ' 34' ' ' CYS . 69.6 t -108.1 167.03 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 109.298 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.532 ' N ' HG12 ' A' ' 33' ' ' VAL . 4.1 t -77.79 174.85 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 108.342 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.538 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -109.51 -77.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.069 . . . . 0.0 109.624 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.7 p 156.76 148.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.988 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.495 ' C ' ' CD1' ' A' ' 38' ' ' TYR . . . 92.26 17.02 48.22 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.127 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.655 ' CE1' ' CD2' ' A' ' 18' ' ' HIS . 1.2 m-85 -137.96 -158.91 0.9 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.519 0.776 . . . . 0.0 111.048 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.485 ' O ' ' C ' ' A' ' 40' ' ' GLY . 2.8 t -153.28 -46.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.485 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -30.65 140.3 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.105 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.63 -53.66 29.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.584 0.814 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.458 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -79.28 -14.46 59.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 7.2 m 84.46 56.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 108.376 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -114.17 -32.62 5.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 110.353 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -100.67 148.58 24.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.606 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.35 89.68 4.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.462 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 3.4 t70 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.497 ' CE1' ' OE1' ' A' ' 26' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.58 ' HZ ' HH11 ' A' ' 22' ' ' ARG . 1.8 t80 42.33 87.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -96.21 -152.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 8' ' ' CYS . 1.2 m-20 -76.89 -0.6 24.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 7' ' ' ASP . 1.7 t 57.78 106.72 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.341 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 10' ' ' ASP . 18.3 Cg_endo -75.01 179.03 6.49 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.445 1.761 . . . . 0.0 110.976 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.497 ' O ' ' C ' ' A' ' 11' ' ' SER . 3.4 m-20 -39.17 -66.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.497 ' C ' ' O ' ' A' ' 10' ' ' ASP . 94.5 p 31.65 -96.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 0.0 110.039 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.68 ' CE1' ' CE2' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -76.99 89.88 3.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 109.544 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.444 ' C ' ' N ' ' A' ' 15' ' ' PHE . 1.2 p -88.06 -166.96 1.73 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.78 ' HB3' HH22 ' A' ' 42' ' ' ARG . 2.1 mt-30 40.3 27.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 0.0 110.319 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.444 ' N ' ' C ' ' A' ' 13' ' ' THR . 1.2 t80 -111.73 -17.42 12.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 1.281 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -162.25 107.65 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 108.357 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.478 ' CD2' ' HG3' ' A' ' 44' ' ' GLU . 0.1 OUTLIER -73.98 -15.54 61.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.469 ' CE1' ' OH ' ' A' ' 38' ' ' TYR . 4.5 t-160 -168.43 71.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.579 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.508 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -156.91 178.6 33.24 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.472 ' CB ' ' HB ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -82.86 171.47 13.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 0.784 . . . . 0.0 110.391 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 3.6 t -129.73 141.43 50.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.102 . . . . 0.0 108.279 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.58 HH11 ' HZ ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -149.32 109.11 4.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.68 ' CE2' ' CE1' ' A' ' 12' ' ' HIS . 0.8 OUTLIER -114.13 103.54 11.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 25' ' ' VAL . 1.7 tp -68.85 67.78 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -40.17 -40.83 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.37 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.497 ' OE1' ' CE1' ' A' ' 4' ' ' HIS . 1.5 mt-30 -44.92 -42.15 7.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -119.66 17.23 12.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 27' ' ' GLU . 10.3 t70 37.69 63.36 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.252 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -127.05 114.8 21.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.573 ' HB3' ' CE1' ' A' ' 12' ' ' HIS . 18.3 Cg_endo -75.01 129.29 12.19 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.548 1.815 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.88 98.29 1.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 1.281 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.6 OUTLIER -96.71 145.83 25.43 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 108.242 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.737 HG12 ' H ' ' A' ' 35' ' ' HIS . 16.2 t -79.43 136.03 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -81.25 3.61 23.34 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.444 1.09 . . . . 0.0 108.277 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.737 ' H ' HG12 ' A' ' 33' ' ' VAL . 0.1 OUTLIER 63.2 65.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.582 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 35' ' ' HIS . 0.6 OUTLIER -32.8 123.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.96 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.81 -8.47 5.5 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.078 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.494 ' O ' HG23 ' A' ' 39' ' ' VAL . 4.4 m-85 -101.68 -170.17 1.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 0.746 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.602 HG21 ' HB2' ' A' ' 47' ' ' ASP . 45.6 t -155.28 -38.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.5 ' O ' ' C ' ' A' ' 41' ' ' ALA . . . -30.49 150.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.5 ' C ' ' O ' ' A' ' 40' ' ' GLY . . . -32.83 -78.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 0.728 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.78 HH22 ' HB3' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -66.16 -62.48 1.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 1.0 OUTLIER 156.85 52.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 108.256 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.478 ' HG3' ' CD2' ' A' ' 17' ' ' PHE . 0.6 OUTLIER -111.79 -40.37 4.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.252 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -80.58 164.17 23.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 109.602 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 38' ' ' TYR . . . -139.82 119.57 13.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.602 ' HB2' HG21 ' A' ' 39' ' ' VAL . 16.0 t0 . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.422 1.076 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.583 ' O ' ' CD2' ' A' ' 5' ' ' PHE . 1.5 t60 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.922 ' CE2' HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER 160.81 106.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -159.52 -111.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.0 106.09 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.596 1.185 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.579 ' HA ' ' HB3' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -86.28 -55.08 0.39 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 108.247 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 8' ' ' CYS . 18.2 Cg_endo -75.0 104.6 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.466 1.771 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.585 ' O ' ' CB ' ' A' ' 11' ' ' SER . 3.5 m-20 -162.04 22.71 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.585 ' CB ' ' O ' ' A' ' 10' ' ' ASP . 1.6 m 151.17 98.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.585 ' CG ' ' O ' ' A' ' 11' ' ' SER . 5.3 m170 92.21 9.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 109.638 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.423 ' C ' ' H ' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -41.53 -24.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 110.485 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.474 ' N ' ' C ' ' A' ' 12' ' ' HIS . 1.6 mt-30 -81.95 27.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.245 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -89.87 10.73 22.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.963 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 1.106 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -153.81 114.84 4.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 108.283 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.605 ' CE2' ' CD ' ' A' ' 44' ' ' GLU . 62.0 m-85 -52.07 -47.67 65.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -167.27 79.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.553 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.474 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -142.58 -177.06 17.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' ' CB ' ' A' ' 32' ' ' CYS . 1.9 m -78.53 152.41 31.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 0.729 . . . . 0.0 110.383 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -101.14 135.64 42.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.401 1.063 . . . . 0.0 108.321 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -154.74 93.31 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.236 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.635 ' HE2' HG23 ' A' ' 25' ' ' VAL . 3.4 t80 -132.11 118.79 20.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.061 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.922 HD22 ' CE2' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -83.97 104.29 13.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.362 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.635 HG23 ' HE2' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -49.87 -54.11 8.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.179 . . . . 0.0 109.344 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.554 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 9.8 mm-40 -57.89 -17.78 18.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.073 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.567 ' O ' ' C ' ' A' ' 28' ' ' ASP . 2.8 tp10 -114.86 4.72 14.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' A' ' 24' ' ' LEU . 1.3 p30 26.69 47.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -119.95 100.8 48.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.602 1.189 . . . . 0.0 109.252 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.468 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.1 132.71 15.59 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -162.37 118.15 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 1.106 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.6 OUTLIER -115.9 122.44 45.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.107 . . . . 0.0 108.34 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.677 HG13 ' N ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER -82.0 177.16 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.677 ' N ' HG13 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -64.06 -167.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 108.363 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.474 ' HB2' ' HA2' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -137.23 32.77 2.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.659 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.21 89.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.07 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.614 ' C ' ' CD1' ' A' ' 38' ' ' TYR . . . 147.34 40.85 0.04 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.614 ' CD1' ' C ' ' A' ' 37' ' ' GLY . 83.1 m-85 -158.86 -171.54 3.45 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.58 0.812 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.656 HG12 ' N ' ' A' ' 40' ' ' GLY . 73.6 t -86.78 -103.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.656 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -140.34 -173.7 13.5 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 80.45 -133.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 0.732 . . . . 0.0 109.337 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.37 12.71 7.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 75.79 38.16 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 108.277 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.605 ' CD ' ' CE2' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -89.13 -39.22 13.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.401 ' HB3' HG21 ' A' ' 39' ' ' VAL . 3.0 m170 -81.59 161.62 23.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.591 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.23 113.25 9.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.467 ' N ' HG23 ' A' ' 39' ' ' VAL . 37.0 t0 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.127 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.54 ' O ' ' CD2' ' A' ' 5' ' ' PHE . 2.3 p-80 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.659 ' CE1' ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER 177.63 161.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 111.035 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.588 HD22 ' HB ' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -145.97 -174.2 4.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.52 159.52 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 0.0 109.29 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.415 ' SG ' ' C ' ' A' ' 21' ' ' CYS . 7.8 p -122.46 98.78 43.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 0.0 108.308 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 178.9 6.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.53 1.805 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -91.26 -63.34 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 13' ' ' THR . 60.1 p 35.98 35.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.027 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.595 ' O ' HG22 ' A' ' 13' ' ' THR . 34.3 m170 48.98 -93.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.573 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 12' ' ' HIS . 6.8 t 47.52 21.27 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.417 ' C ' HH11 ' A' ' 42' ' ' ARG . 14.0 mt-30 66.28 55.95 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.345 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -83.55 -155.21 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.176 . . . . 0.0 110.994 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.447 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -110.24 125.27 52.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 0.0 108.32 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.591 ' CD1' ' CD ' ' A' ' 44' ' ' GLU . 0.4 OUTLIER -60.36 -24.13 64.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 111.031 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.529 ' CG ' ' OH ' ' A' ' 38' ' ' TYR . 1.8 t-80 -164.65 72.46 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.589 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.467 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -153.24 -170.6 19.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.421 1.075 . . . . 0.0 111.06 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.488 HG23 ' NE2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -78.27 158.87 28.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 110.391 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.491 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 24.2 p -138.3 145.73 41.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 108.292 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -156.27 120.07 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.541 ' C ' ' CE1' ' A' ' 5' ' ' PHE . 6.5 t80 -109.48 101.25 10.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.172 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.659 ' N ' ' CE1' ' A' ' 5' ' ' PHE . 0.4 OUTLIER -66.61 78.66 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.369 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.588 ' HB ' HD22 ' A' ' 6' ' ' ASN . 0.3 OUTLIER -39.81 -48.12 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.467 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 27.0 mt-30 -37.19 -45.85 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.318 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.556 ' O ' ' C ' ' A' ' 28' ' ' ASP . 5.3 mt-10 -122.76 24.88 8.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.556 ' C ' ' O ' ' A' ' 27' ' ' GLU . 15.6 p-10 27.62 46.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -102.78 107.29 54.0 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.66 6.16 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.583 1.833 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' A' ' 22' ' ' ARG . . . -148.1 117.31 6.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -106.09 176.19 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 108.249 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 34' ' ' CYS . 42.5 t -140.3 154.09 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.456 ' O ' HG12 ' A' ' 33' ' ' VAL . 19.6 t -73.51 166.97 22.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.441 1.088 . . . . 0.0 108.312 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.488 ' NE2' HG23 ' A' ' 20' ' ' THR . 0.0 OUTLIER -118.3 97.43 5.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.664 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 35' ' ' HIS . 1.3 t -35.73 124.53 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.056 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.06 0.39 6.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.529 ' OH ' ' CG ' ' A' ' 18' ' ' HIS . 36.4 m-85 -114.43 -168.12 1.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.556 ' CG2' ' N ' ' A' ' 47' ' ' ASP . 2.0 t -131.71 -72.12 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -32.8 148.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.471 1.107 . . . . 0.0 111.08 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.93 -62.86 1.36 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 0.786 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.514 ' CG ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -61.65 -18.76 60.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.403 1.065 . . . . 0.0 110.312 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 3.8 m 87.93 43.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.483 1.114 . . . . 0.0 108.291 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.591 ' CD ' ' CD1' ' A' ' 17' ' ' PHE . 3.6 tp10 -87.8 -36.56 17.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.392 1.058 . . . . 0.0 110.338 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -93.81 158.32 15.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.61 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 47' ' ' ASP . . . -123.45 109.42 13.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.556 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 5.6 t70 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.613 ' CD2' ' OD1' ' A' ' 6' ' ' ASN . 6.3 t60 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.58 ' CE1' ' HA ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER 61.0 133.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.613 ' OD1' ' CD2' ' A' ' 4' ' ' HIS . 35.5 m120 -148.57 139.75 23.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 0.1 OUTLIER 44.33 -167.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.355 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -175.08 138.96 0.6 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 108.24 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.469 ' HG2' ' CB ' ' A' ' 13' ' ' THR . 18.2 Cg_endo -75.0 -173.66 1.65 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.517 1.798 . . . . 0.0 110.962 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' HIS . 25.2 t0 -135.41 -48.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 12' ' ' HIS . 12.4 t -62.09 79.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.57 1.169 . . . . 0.0 109.957 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.718 ' C ' HG22 ' A' ' 13' ' ' THR . 12.2 m-70 61.47 129.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.578 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.718 HG22 ' C ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER 166.58 -72.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.431 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.636 ' H ' HG23 ' A' ' 13' ' ' THR . 3.7 pm0 -100.1 -16.38 17.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.61 ' CD2' ' O ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER 42.73 100.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.976 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 1.273 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -163.71 128.76 2.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.175 . . . . 0.0 108.336 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.469 ' CB ' ' HA ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -91.76 -10.77 38.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.614 ' CD2' ' O ' ' A' ' 43' ' ' CYS . 0.8 OUTLIER -170.62 82.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.538 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.92 162.65 36.43 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.437 1.085 . . . . 0.0 110.978 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.505 ' CB ' HH21 ' A' ' 22' ' ' ARG . 0.1 OUTLIER -75.79 120.61 21.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 0.758 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.453 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 22.6 p -80.82 135.64 35.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 108.29 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.636 ' HD2' HG23 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -150.89 100.63 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 28' ' ' ASP . 71.9 t80 -99.79 107.03 18.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -68.9 77.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -42.77 -40.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.404 1.065 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.46 ' CG ' ' HB3' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -50.4 -40.3 49.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 24' ' ' LEU . 3.8 mm-40 -112.8 9.72 19.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER 37.19 45.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.51 ' O ' HD12 ' A' ' 24' ' ' LEU . 4.2 mtmt -121.11 130.62 24.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 29' ' ' LYS . 18.0 Cg_endo -75.03 134.6 17.96 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.52 1.8 . . . . 0.0 110.973 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -160.46 101.97 1.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 1.273 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 32.0 p -110.21 125.51 53.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 108.269 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.636 HG23 ' HD2' ' A' ' 22' ' ' ARG . 55.8 t -78.81 109.75 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 33' ' ' VAL . 1.3 m -40.06 157.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.129 . . . . 0.0 108.25 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.529 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -103.42 97.9 7.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.606 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 35' ' ' HIS . 7.0 p -37.59 153.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.985 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.86 39.3 4.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.531 ' CA ' ' HA ' ' A' ' 46' ' ' ALA . 3.0 p90 -155.48 -146.43 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 0.75 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.613 HG12 ' N ' ' A' ' 40' ' ' GLY . 66.6 t -105.38 -111.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.613 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -166.44 -136.17 1.98 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.6 1.188 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 74.96 -84.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 0.76 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -138.95 14.02 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.614 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.1 OUTLIER 75.42 47.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 108.237 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.469 ' HA ' ' CB ' ' A' ' 17' ' ' PHE . 7.4 pt-20 -117.46 -33.02 4.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -103.23 145.05 30.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.57 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.531 ' HA ' ' CA ' ' A' ' 38' ' ' TYR . . . -138.54 118.12 13.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.41 ' N ' HG23 ' A' ' 39' ' ' VAL . 20.9 t70 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.635 ' O ' ' CD1' ' A' ' 5' ' ' PHE . 25.3 t-80 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.635 ' CD1' ' O ' ' A' ' 4' ' ' HIS . 29.6 m-85 -156.09 48.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 8' ' ' CYS . 18.2 m-80 -134.03 -104.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.364 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' ASN . 20.6 m-20 39.09 30.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.275 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.512 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -49.2 113.23 2.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 108.267 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 18.3 Cg_endo -74.96 -170.89 0.84 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.548 1.815 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 12' ' ' HIS . 5.0 m-20 77.95 -2.44 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.591 ' C ' ' CG ' ' A' ' 12' ' ' HIS . 11.4 t 36.81 33.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.976 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.591 ' CG ' ' C ' ' A' ' 11' ' ' SER . 0.0 OUTLIER 60.97 115.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.608 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 14' ' ' GLN . 4.4 t -137.56 -50.2 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.433 ' N ' HG23 ' A' ' 13' ' ' THR . 69.5 mt-30 -143.29 60.27 1.4 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -133.98 -79.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 111.064 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -129.66 114.48 16.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 108.309 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -81.11 -11.99 59.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.624 ' CD2' ' O ' ' A' ' 18' ' ' HIS . 33.5 p-80 -155.68 64.46 0.6 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.444 1.09 . . . . 0.0 109.601 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -164.84 175.65 40.76 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -77.81 168.19 20.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.536 0.786 . . . . 0.0 110.391 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -133.93 138.69 45.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 108.324 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 31' ' ' ALA . 11.9 ttt180 -149.32 138.27 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.725 ' HE2' HG23 ' A' ' 25' ' ' VAL . 17.4 t80 -140.45 109.28 6.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 111.048 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.684 HD23 ' CG ' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -66.67 91.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.725 HG23 ' HE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -49.93 -43.27 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.248 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.684 ' CG ' HD23 ' A' ' 24' ' ' LEU . 3.0 pt20 -56.02 -36.99 68.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 28' ' ' ASP . 2.3 mt-10 -101.45 4.04 40.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.62 ' HA ' ' CZ ' ' A' ' 23' ' ' PHE . 19.8 m-20 36.69 40.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.432 ' CE ' ' HB3' ' A' ' 27' ' ' GLU . 12.5 ptpt -123.08 125.48 26.24 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 143.5 29.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.485 1.782 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -162.24 93.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -89.79 140.66 29.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 108.264 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 20' ' ' THR . 97.4 t -103.62 153.64 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.475 ' SG ' ' OH ' ' A' ' 38' ' ' TYR . 1.3 m -77.13 -169.32 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.588 1.18 . . . . 0.0 108.271 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -122.24 -88.44 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.612 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 1.5 m 159.3 160.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.957 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.72 23.95 51.43 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.556 ' CG ' ' NE2' ' A' ' 18' ' ' HIS . 11.2 p90 -135.54 -147.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 111.075 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 45' ' ' HIS . 2.0 m -100.2 -107.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.374 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.526 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -161.84 -140.47 2.88 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.044 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 73.01 -86.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 0.779 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -148.25 21.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.51 ' C ' ' CE1' ' A' ' 18' ' ' HIS . 95.1 m 70.72 39.62 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 108.341 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -84.2 -29.96 26.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.779 ' O ' HG22 ' A' ' 39' ' ' VAL . 2.1 m80 -137.14 164.78 27.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.596 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.466 ' HA ' ' HB2' ' A' ' 38' ' ' TYR . . . -145.29 130.93 18.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.646 ' O ' ' CG ' ' A' ' 5' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.646 ' CG ' ' O ' ' A' ' 4' ' ' HIS . 18.4 p90 43.64 -171.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.518 ' O ' ' CB ' ' A' ' 7' ' ' ASP . 0.9 OUTLIER -150.38 19.07 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 1.4 m-20 82.96 151.64 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 1.184 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 14.9 p -139.17 140.39 26.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 108.334 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.439 ' O ' ' OD1' ' A' ' 10' ' ' ASP . 18.3 Cg_endo -75.0 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.555 1.818 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.516 ' CG ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER 61.58 14.63 6.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.507 ' C ' ' O ' ' A' ' 10' ' ' ASP . 80.4 p -30.63 -41.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.5 OUTLIER -132.41 99.52 4.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.607 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 m -157.36 -67.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.403 1.065 . . . . 0.0 110.437 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -161.24 30.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.59 1.181 . . . . 0.0 110.336 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -117.1 -34.83 4.25 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.403 1.064 . . . . 0.0 111.011 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 1.143 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -160.95 129.59 4.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 108.301 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.492 ' O ' ' CB ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -44.24 -26.36 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.563 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 0.7 OUTLIER 162.81 85.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.565 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.462 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -138.0 -168.25 11.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.456 1.098 . . . . 0.0 111.032 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.849 ' HB ' HG12 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -95.11 104.51 16.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 0.794 . . . . 0.0 110.422 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 1.184 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 42.4 t -74.03 140.23 45.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 108.285 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -161.11 121.62 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.629 ' HE2' HG23 ' A' ' 25' ' ' VAL . 4.6 t80 -96.02 113.75 25.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.736 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -83.22 104.92 13.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.629 HG23 ' HE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -61.05 -38.61 79.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -34.2 -50.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' CG ' ' HB2' ' A' ' 29' ' ' LYS . 1.2 pm0 -118.49 1.23 11.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 24' ' ' LEU . 10.6 t70 53.14 56.64 7.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 26.9 mttt -126.7 116.04 22.63 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 15' ' ' PHE . 18.2 Cg_endo -75.01 125.08 9.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -156.97 154.19 29.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 1.143 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -107.54 -171.26 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 108.292 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.931 HG13 ' O ' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -147.09 56.24 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.245 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.514 ' O ' ' O ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER 34.85 -154.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 108.366 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.611 ' HE2' HG23 ' A' ' 20' ' ' THR . 0.0 OUTLIER -162.54 40.29 0.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.565 1.166 . . . . 0.0 109.626 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 35' ' ' HIS . 2.1 p 48.79 -179.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 48.49 22.23 2.45 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.105 . . . . 0.0 110.978 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.602 ' CD2' ' SG ' ' A' ' 43' ' ' CYS . 3.6 m-85 -129.25 -167.22 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 0.758 . . . . 0.0 110.94 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.729 HG12 ' H ' ' A' ' 40' ' ' GLY . 1.6 t -148.25 -166.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.729 ' H ' HG12 ' A' ' 39' ' ' VAL . . . 71.34 -163.43 54.12 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.413 1.07 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.4 -24.8 10.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.588 0.816 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.62 11.2 16.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 110.283 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.602 ' SG ' ' CD2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER 77.1 17.73 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 108.342 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -58.61 -44.01 89.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.75 173.41 7.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 38' ' ' TYR . . . -153.36 120.59 5.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.507 ' HD1' ' N ' ' A' ' 4' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.571 ' CE2' ' HG ' ' A' ' 24' ' ' LEU . 1.1 t80 -179.14 64.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 6' ' ' ASN . 0.3 OUTLIER -138.51 -75.96 0.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' ASN . 0.6 OUTLIER -38.63 114.36 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.422 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 1.6 p -133.99 119.19 14.54 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 108.282 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.537 ' HD2' HG21 ' A' ' 13' ' ' THR . 18.4 Cg_endo -74.95 170.86 19.47 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.542 1.811 . . . . 0.0 111.027 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 12' ' ' HIS . 0.7 OUTLIER -77.16 -65.42 0.95 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.9 t -46.49 96.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.977 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.684 ' O ' HG22 ' A' ' 13' ' ' THR . 0.0 OUTLIER 74.69 156.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.618 1.199 . . . . 0.0 109.636 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.684 HG22 ' O ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER 86.67 -23.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -104.39 21.31 16.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.283 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.593 ' CZ ' ' HA ' ' A' ' 12' ' ' HIS . 22.6 m-85 -63.25 74.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 1.097 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -162.27 114.8 1.7 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 108.275 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -72.4 -13.22 61.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.432 ' O ' ' HB2' ' A' ' 35' ' ' HIS . 2.0 t-80 -163.57 71.54 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 109.582 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.472 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -168.93 165.16 38.7 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -72.36 163.94 27.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 0.805 . . . . 0.0 110.413 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.61 ' SG ' HG23 ' A' ' 13' ' ' THR . 3.7 t -121.6 139.3 53.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 108.275 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.562 ' HG2' ' CD1' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -152.57 147.85 26.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 110.349 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.613 ' CE2' ' HA ' ' A' ' 28' ' ' ASP . 57.3 t80 -133.42 115.13 14.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.646 HD22 ' HB2' ' A' ' 26' ' ' GLN . 0.4 OUTLIER -67.19 72.21 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.353 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -39.84 -43.61 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.646 ' HB2' HD22 ' A' ' 24' ' ' LEU . 27.4 mt-30 -46.85 -43.99 19.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -113.99 15.37 18.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.285 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.613 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 7.2 p-10 36.35 47.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -118.42 141.76 30.24 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.587 1.179 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.581 ' HG3' ' CD2' ' A' ' 12' ' ' HIS . 18.3 Cg_endo -75.06 140.3 25.12 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.514 1.797 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -162.74 100.63 1.02 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.472 1.108 . . . . 0.0 109.256 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 1.097 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -99.4 139.59 34.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 108.32 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' THR . 39.6 t -92.99 159.69 2.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.454 ' SG ' ' CB ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -68.95 -155.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 108.309 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.546 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -142.89 69.69 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.569 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.2 t 89.59 66.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.095 . . . . 0.0 110.013 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 40.99 39.61 2.05 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.092 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.997 ' CE1' ' HB2' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -75.6 163.93 26.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 110.889 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.622 HG12 ' N ' ' A' ' 40' ' ' GLY . 96.3 t -135.52 -110.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.622 ' N ' HG12 ' A' ' 39' ' ' VAL . . . 58.21 -136.52 50.88 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.458 1.099 . . . . 0.0 110.95 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.45 ' O ' ' CB ' ' A' ' 42' ' ' ARG . . . -117.24 101.28 8.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.478 0.752 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.565 HH21 ' HB3' ' A' ' 15' ' ' PHE . 3.4 ttt180 80.48 29.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 0.0 110.317 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 42' ' ' ARG . 8.3 m 67.98 39.68 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 108.281 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -87.56 -43.54 11.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.544 1.153 . . . . 0.0 110.323 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.419 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 6.8 m80 -104.94 -176.17 3.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.997 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . . . -132.05 113.5 13.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.597 ' HB2' HG21 ' A' ' 39' ' ' VAL . 14.1 t70 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.712 ' HE1' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' A' ' 6' ' ' ASN . 3.3 t80 57.17 157.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.6 ' O ' ' CE2' ' A' ' 5' ' ' PHE . 15.0 m120 -120.1 -91.67 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.408 ' HA ' ' CZ ' ' A' ' 5' ' ' PHE . 0.7 OUTLIER -164.8 27.76 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 56.71 93.2 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 108.32 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -178.89 4.46 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.478 1.778 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 12' ' ' HIS . 1.6 p30 -54.96 -19.74 7.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 10' ' ' ASP . 56.6 m -37.2 -32.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.622 ' CE1' ' HB3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -151.43 84.93 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.552 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.4 t -81.66 -9.71 59.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.411 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 4.7 mt-30 -118.36 -115.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.417 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 2.3 t80 65.21 5.43 3.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 1.133 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -162.51 172.18 15.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 108.318 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 44' ' ' GLU . 5.1 t80 -85.64 -57.89 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.763 ' CD2' ' CZ ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -164.52 64.55 0.14 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.45 1.094 . . . . 0.0 109.642 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -126.65 -163.55 11.52 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.775 ' CB ' HG22 ' A' ' 33' ' ' VAL . 1.7 m -79.47 -175.12 4.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.512 ' H ' HG22 ' A' ' 20' ' ' THR . 0.5 OUTLIER -142.21 147.15 36.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 108.355 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -162.39 116.71 1.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -117.24 103.33 10.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.712 HD11 ' HE1' ' A' ' 4' ' ' HIS . 1.2 tp -77.31 77.36 3.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.413 1.071 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -48.47 -46.52 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.447 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -38.73 -44.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 28' ' ' ASP . 6.5 mm-40 -120.56 22.05 11.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 27' ' ' GLU . 60.5 t0 35.51 71.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -122.61 86.2 49.13 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.372 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.622 ' HB3' ' CE1' ' A' ' 12' ' ' HIS . 18.4 Cg_endo -74.97 113.14 3.72 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.455 1.766 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -161.83 151.4 16.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 1.133 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -109.01 -178.8 3.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 108.333 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.775 HG22 ' CB ' ' A' ' 20' ' ' THR . 1.8 m -130.33 164.61 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.24 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.459 ' N ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -75.86 166.86 22.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 108.245 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.405 ' HB2' ' HH ' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -118.04 15.28 14.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.613 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m 60.15 153.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 109.939 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.85 -10.15 60.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.763 ' CZ ' ' CD2' ' A' ' 18' ' ' HIS . 3.3 p90 -161.98 -170.52 2.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 111.037 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.65 HG23 ' N ' ' A' ' 40' ' ' GLY . 15.6 m -155.32 -138.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.188 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.65 ' N ' HG23 ' A' ' 39' ' ' VAL . . . 113.55 18.56 6.99 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 79.84 -55.29 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 0.774 . . . . 0.0 109.26 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.452 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -103.21 -4.37 24.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 19.0 m 84.2 69.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 108.22 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 17.3 pt-20 -132.95 -41.79 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.216 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.409 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 12.8 m-70 -92.38 150.15 20.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.442 ' HA ' ' HB2' ' A' ' 38' ' ' TYR . . . -117.13 112.5 20.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 46' ' ' ALA . 12.2 t70 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.358 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.766 ' C ' HG13 ' A' ' 2' ' ' VAL . 3.6 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.766 HG13 ' C ' ' A' ' 1' ' ' VAL . 1.2 m 67.16 -56.42 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.232 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.58 ' N ' ' CG2' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -44.63 157.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.95 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.61 -172.14 3.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.587 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.828 ' HA ' HG12 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -135.55 178.2 7.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -153.89 -87.62 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.32 101.83 2.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.582 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -72.29 -48.92 9.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 108.281 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 8' ' ' CYS . 18.1 Cg_endo -75.03 129.08 11.98 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' A' ' 11' ' ' SER . 5.0 m-20 -167.15 35.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' A' ' 10' ' ' ASP . 1.4 m 88.13 -42.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 110.047 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.404 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 28.2 m80 -70.08 -7.39 40.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.56 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -62.8 -10.88 14.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.419 ' OE1' ' HA ' ' A' ' 14' ' ' GLN . 2.5 tp-100 -77.17 2.03 16.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.584 ' HA ' HH12 ' A' ' 42' ' ' ARG . 7.2 m-85 -86.95 19.41 3.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.133 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -150.88 131.59 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 108.309 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.598 ' CG ' ' HA ' ' A' ' 44' ' ' GLU . 25.9 t80 -82.71 -41.02 19.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.571 ' ND1' ' CZ ' ' A' ' 38' ' ' TYR . 3.1 t-80 -170.85 78.65 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.603 1.189 . . . . 0.0 109.611 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.419 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -157.97 -167.25 18.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.562 1.164 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -73.54 152.13 40.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 0.785 . . . . 0.0 110.416 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.444 ' C ' ' CG ' ' A' ' 22' ' ' ARG . 4.2 t -127.8 140.49 52.01 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.502 1.126 . . . . 0.0 108.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.444 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 0.7 OUTLIER -156.83 118.09 3.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.407 ' O ' ' CB ' ' A' ' 5' ' ' PHE . 82.7 t80 -115.8 115.89 27.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 111.045 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.92 HD23 ' HB2' ' A' ' 27' ' ' GLU . 1.3 tp -74.75 101.12 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.828 HG12 ' HA ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -57.21 -83.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.348 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.742 ' H ' HG13 ' A' ' 25' ' ' VAL . 13.2 mt-30 -34.82 -35.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.92 ' HB2' HD23 ' A' ' 24' ' ' LEU . 2.3 mt-10 -115.66 52.83 0.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.63 ' C ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -18.35 95.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' GLU . 14.5 mttm -154.21 97.71 2.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 119.9 5.83 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.503 1.791 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -155.66 117.86 4.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.133 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -109.61 128.41 55.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 108.349 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 45.8 t -81.92 164.46 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 109.365 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.464 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 1.5 t -65.33 -155.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 108.236 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.502 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -131.31 -76.33 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.579 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.7 t 159.26 145.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.051 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.53 16.22 43.24 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.426 1.079 . . . . 0.0 111.034 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.571 ' CZ ' ' ND1' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -105.67 -168.56 1.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 0.793 . . . . 0.0 110.981 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.716 HG11 ' HB3' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -160.97 173.59 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.26 160.39 14.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.56 -39.54 73.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.584 HH12 ' HA ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -123.71 16.48 9.49 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 5.8 m 87.08 35.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 108.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.598 ' HA ' ' CG ' ' A' ' 17' ' ' PHE . 30.5 mm-40 -74.82 -38.62 62.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.445 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 1.1 m80 -88.92 161.81 16.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.578 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 47' ' ' ASP . . . -126.79 105.16 8.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.551 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER 52.07 175.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.779 ' O ' HD22 ' A' ' 49' ' ' LEU . 1.3 tp 79.11 18.35 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.779 HD22 ' O ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -154.17 48.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.134 0 CA-C-O 117.055 -1.45 . . . . 0.0 109.277 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 1' ' ' VAL . 9.5 p . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.9 t -126.17 -51.92 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.31 160.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.541 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 0.0 OUTLIER 177.64 133.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.622 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.568 ' O ' ' CG ' ' A' ' 5' ' ' PHE . 77.2 t80 36.87 39.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.422 ' C ' ' N ' ' A' ' 8' ' ' CYS . 28.0 t30 -159.05 166.01 32.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 48.1 23.31 0.5 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.409 1.068 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.329 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -51.21 177.35 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 108.296 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 8' ' ' CYS . 18.3 Cg_endo -75.03 -168.4 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.591 ' O ' ' CB ' ' A' ' 11' ' ' SER . 30.2 t0 -107.01 65.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.591 ' CB ' ' O ' ' A' ' 10' ' ' ASP . 2.3 t 92.29 -39.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -42.11 -27.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.608 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.621 HG21 ' HB2' ' A' ' 21' ' ' CYS . 0.2 OUTLIER -46.79 -84.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.677 ' C ' ' CG ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -107.51 3.64 25.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 0.0 110.275 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.677 ' CG ' ' C ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER 68.73 114.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.066 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -146.92 170.19 17.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.334 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.557 ' CG ' ' HB2' ' A' ' 44' ' ' GLU . 4.1 m-85 -109.47 -23.11 11.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.578 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 3.3 t-80 -176.08 80.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 109.639 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.423 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -158.6 167.23 34.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.521 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -74.89 124.86 27.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 0.778 . . . . 0.0 110.369 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 1.329 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -81.93 144.11 31.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 108.301 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.428 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -162.62 110.24 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.438 ' O ' ' N ' ' A' ' 25' ' ' VAL . 0.3 OUTLIER -104.56 104.44 14.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 111.064 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.552 HD12 ' HB2' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -67.95 68.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.541 ' CG1' ' HA ' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -41.55 -42.6 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.552 ' HB2' HD12 ' A' ' 24' ' ' LEU . 5.2 mt-30 -43.33 -43.59 5.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 28' ' ' ASP . 8.0 mt-10 -118.67 14.26 13.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' LEU . 9.4 t70 37.77 67.66 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.598 1.186 . . . . 0.0 109.363 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -135.61 119.15 12.8 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.448 ' HB2' ' CA ' ' A' ' 14' ' ' GLN . 18.3 Cg_endo -75.02 131.17 13.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 0.0 111.061 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -163.12 132.05 4.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.228 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.066 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 24.5 p -133.18 131.6 40.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.307 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 20' ' ' THR . 5.3 t -80.54 157.52 4.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -60.16 -169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 108.36 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -148.69 -86.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.567 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -70.92 61.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.083 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 36' ' ' SER . . . 34.55 41.01 0.21 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 18' ' ' HIS . 51.1 m-85 -72.0 -159.8 0.05 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 0.769 . . . . 0.0 110.98 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 40' ' ' GLY . 11.2 t -73.12 -124.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.374 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.464 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -148.59 -52.21 0.02 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' GLY . . . -38.19 -89.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 0.786 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -96.22 -11.71 25.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.1 m 61.03 31.24 19.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 108.281 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.557 ' HB2' ' CG ' ' A' ' 17' ' ' PHE . 16.6 pt-20 -92.58 -33.1 14.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.46 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -92.71 162.34 14.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.571 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.01 105.34 16.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -41.43 161.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.673 HD22 ' N ' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -104.96 178.16 4.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.212 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.7 tp -172.32 66.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 109.237 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-O 117.015 -1.469 . . . . 0.0 109.287 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.7 HG12 ' H ' ' A' ' 2' ' ' VAL . 2.2 t . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.7 ' H ' HG12 ' A' ' 1' ' ' VAL . 65.9 t -111.3 -34.44 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.587 ' HA ' ' CE1' ' A' ' 5' ' ' PHE . 2.6 m -49.96 94.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 2' ' ' VAL . 17.1 t-160 -106.31 16.71 24.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.617 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.638 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -118.53 92.18 3.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 111.019 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 7' ' ' ASP . 0.3 OUTLIER -100.56 -77.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 8' ' ' CYS . 2.1 m-20 -50.67 -179.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.571 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER 158.44 -49.75 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 108.26 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 8' ' ' CYS . 18.4 Cg_endo -74.95 123.39 7.87 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 111.048 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.414 ' O ' ' CB ' ' A' ' 11' ' ' SER . 5.2 m-20 -107.97 44.78 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.605 1.191 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.438 ' C ' ' CG ' ' A' ' 12' ' ' HIS . 2.3 p 80.34 25.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 110.034 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.438 ' CG ' ' C ' ' A' ' 11' ' ' SER . 0.0 OUTLIER 52.44 95.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.693 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.514 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 11.6 p -106.05 -63.36 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.403 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.514 ' CG ' ' O ' ' A' ' 13' ' ' THR . 5.4 mt-30 -170.61 37.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.32 -36.39 3.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -161.36 133.4 5.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 108.32 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.522 ' CB ' ' HA ' ' A' ' 44' ' ' GLU . 0.1 OUTLIER -122.03 -18.32 6.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.636 ' CD2' ' O ' ' A' ' 18' ' ' HIS . 33.7 p-80 -158.77 65.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.576 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -162.53 179.52 37.78 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.479 1.112 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -76.08 154.38 35.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 110.396 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -120.53 140.38 51.55 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.599 1.187 . . . . 0.0 108.329 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.48 ' HD2' HG23 ' A' ' 33' ' ' VAL . 1.4 mtt-85 -155.1 109.35 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 5' ' ' PHE . 0.6 OUTLIER -111.31 107.81 17.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 28' ' ' ASP . 1.7 tp -75.1 70.39 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -43.55 -46.3 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.192 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.446 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -45.73 -33.07 2.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.43 1.081 . . . . 0.0 110.243 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 28' ' ' ASP . 0.3 OUTLIER -124.88 17.81 8.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.27 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' GLU . 76.6 m-20 35.69 53.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -114.75 93.16 32.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 120.72 6.2 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.526 1.803 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -158.3 125.03 4.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -112.18 129.15 56.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 108.259 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.48 HG23 ' HD2' ' A' ' 22' ' ' ARG . 51.1 t -81.38 149.21 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.226 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.423 ' SG ' ' OH ' ' A' ' 38' ' ' TYR . 98.2 m -66.51 -170.22 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 108.275 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.569 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -126.17 -85.16 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.56 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.7 p 153.57 161.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 110.029 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.81 27.9 61.93 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.538 1.149 . . . . 0.0 111.039 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.604 ' CE2' ' O ' ' A' ' 39' ' ' VAL . 38.8 p90 -137.12 -156.75 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.771 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.604 ' O ' ' CE2' ' A' ' 38' ' ' TYR . 2.1 t -92.33 -142.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.343 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.725 ' O ' ' HB2' ' A' ' 41' ' ' ALA . . . -146.87 137.46 6.72 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 40' ' ' GLY . . . 159.6 -80.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.406 ' C ' ' SG ' ' A' ' 43' ' ' CYS . 3.8 mpp_? -133.32 6.13 3.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.607 ' C ' ' CE1' ' A' ' 18' ' ' HIS . 0.3 OUTLIER 72.06 43.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 108.317 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.522 ' HA ' ' CB ' ' A' ' 17' ' ' PHE . 9.3 tt0 -115.76 -28.95 6.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.608 1.192 . . . . 0.0 110.303 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.489 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 3.2 m170 -109.48 144.66 37.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.57 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' A' ' 38' ' ' TYR . . . -141.46 123.7 15.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -40.19 149.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.92 18.28 1.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.86 59.0 1.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.201 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 116.928 -1.51 . . . . 0.0 109.311 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.63 HG23 ' OE1' ' A' ' 26' ' ' GLN . 10.0 m -108.76 -26.67 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.5 p 63.81 101.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.433 ' HB3' ' CG ' ' A' ' 26' ' ' GLN . 2.6 t-160 -159.4 78.86 0.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.616 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.549 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -117.4 163.87 15.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 7' ' ' ASP . 63.2 t30 -140.91 -65.1 0.45 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.6 ' OD2' ' CD2' ' A' ' 23' ' ' PHE . 5.9 m-20 -59.86 -153.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.486 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER 170.01 -54.33 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 108.309 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.52 ' HA ' ' CE2' ' A' ' 15' ' ' PHE . 18.5 Cg_endo -74.92 127.8 11.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.577 1.83 . . . . 0.0 111.025 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.411 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.2 OUTLIER -127.83 24.35 6.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 109.353 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 p 64.72 65.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 59.81 95.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.593 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 14' ' ' GLN . 0.5 OUTLIER 178.95 133.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 13' ' ' THR . 40.6 mt-30 36.45 41.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.52 ' CE2' ' HA ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -101.78 -162.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 111.039 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -155.19 143.75 20.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.405 1.066 . . . . 0.0 108.338 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -28.32 69.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.797 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -169.2 71.78 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.616 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 33' ' ' VAL . . . -132.15 -142.76 5.0 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.068 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.848 HG23 ' HE2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -124.3 99.09 6.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 0.745 . . . . 0.0 110.448 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.434 ' C ' ' CG ' ' A' ' 22' ' ' ARG . 17.4 p -73.23 136.85 44.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 108.308 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.434 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 2.1 mtt-85 -155.53 111.09 3.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.617 ' CE2' ' HA ' ' A' ' 28' ' ' ASP . 71.1 t80 -92.04 111.15 22.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.71 HD12 ' HB2' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -67.42 72.48 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -39.99 -40.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.71 ' HB2' HD12 ' A' ' 24' ' ' LEU . 17.0 mt-30 -43.82 -44.77 7.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.34 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.9 mp0 -118.04 8.34 12.45 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.456 1.097 . . . . 0.0 110.366 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.617 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 0.0 OUTLIER 44.18 72.27 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.079 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 2.6 mtpp -145.34 129.18 8.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 119.08 5.5 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.538 1.809 . . . . 0.0 111.042 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.94 112.38 5.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -101.03 -173.81 2.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 108.314 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 20' ' ' THR . 42.5 t -150.55 151.23 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.472 ' SG ' ' CD2' ' A' ' 38' ' ' TYR . 1.3 m -62.98 169.47 3.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 108.264 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.848 ' HE2' HG23 ' A' ' 20' ' ' THR . 0.0 OUTLIER -119.49 -40.75 2.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.647 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.9 p 159.49 144.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.392 1.057 . . . . 0.0 109.968 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.13 56.21 19.47 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.617 ' CE1' ' O ' ' A' ' 43' ' ' CYS . 4.0 m-85 -131.97 -176.73 4.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 0.784 . . . . 0.0 111.065 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.577 HG22 ' CA ' ' A' ' 47' ' ' ASP . 86.7 t -94.99 -99.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.361 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.525 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -174.23 44.75 0.14 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.421 1.076 . . . . 0.0 111.063 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -134.71 -107.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 0.724 . . . . 0.0 109.385 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -90.04 -1.33 57.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.617 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 79.2 m 71.18 45.03 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 108.23 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -104.96 -40.16 6.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.494 ' C ' HG23 ' A' ' 39' ' ' VAL . 10.4 m-70 -104.38 160.31 15.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.549 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.565 ' HA ' ' HA ' ' A' ' 38' ' ' TYR . . . -110.77 100.23 9.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.577 ' CA ' HG22 ' A' ' 39' ' ' VAL . 1.0 OUTLIER 55.78 166.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER 74.95 140.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.562 ' N ' HD12 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -168.15 73.15 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.003 -1.475 . . . . 0.0 109.338 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.427 ' O ' ' CB ' ' A' ' 2' ' ' VAL . 28.4 m . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.534 HG12 ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER 80.35 -51.93 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.567 ' OG ' ' CE1' ' A' ' 5' ' ' PHE . 3.3 t 85.39 138.37 0.05 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.517 1.135 . . . . 0.0 110.016 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.582 ' CG ' ' HB3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -139.83 81.18 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.612 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.65 ' CZ ' HD21 ' A' ' 24' ' ' LEU . 1.6 m-85 -133.83 97.72 3.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.46 ' O ' ' C ' ' A' ' 7' ' ' ASP . 3.0 m120 -111.58 -151.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.517 ' HB2' ' CB ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER 36.29 -150.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.558 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER 166.91 -50.42 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 108.277 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 8' ' ' CYS . 18.3 Cg_endo -74.97 119.94 5.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.03 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.456 ' OD2' ' CA ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -104.78 -8.2 18.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 12' ' ' HIS . 0.4 OUTLIER 38.17 77.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.979 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.631 ' O ' HG22 ' A' ' 13' ' ' THR . 0.3 OUTLIER 89.63 168.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.615 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER 88.32 -37.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 110.393 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 13' ' ' THR . 2.0 mt-30 -175.72 -96.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.478 ' CE1' ' O ' ' A' ' 8' ' ' CYS . 3.0 t80 45.71 -173.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.203 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -124.82 -175.57 3.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.258 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.598 ' CE2' ' OE2' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -112.84 -41.91 3.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.71 ' CD2' ' CZ ' ' A' ' 38' ' ' TYR . 30.5 p-80 -151.02 62.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.566 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.416 ' HA2' ' CG ' ' A' ' 35' ' ' HIS . . . -150.44 -166.26 13.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 33' ' ' VAL . 0.8 OUTLIER -75.11 154.75 37.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 0.779 . . . . 0.0 110.318 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 5.5 p -139.44 137.71 35.85 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.52 1.138 . . . . 0.0 108.267 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.446 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 4.5 mtt-85 -157.17 101.45 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.517 ' CB ' ' HB2' ' A' ' 7' ' ' ASP . 1.6 t80 -80.12 117.16 20.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.65 HD21 ' CZ ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -73.83 86.29 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.492 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -56.51 -48.94 79.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.582 ' HB3' ' CG ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -49.82 -34.03 18.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.517 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 2.7 mm-40 -109.09 10.78 25.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 110.357 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 24' ' ' LEU . 5.7 m-20 35.87 45.61 0.29 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 3.4 mmmt -135.75 129.19 18.23 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.401 1.063 . . . . 0.0 109.386 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 119.2 5.55 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.514 1.797 . . . . 0.0 111.035 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -130.29 95.94 4.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.203 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -97.36 147.61 24.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.279 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' THR . 68.1 t -108.93 157.73 9.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.99 176.31 8.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 108.256 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.417 ' HB3' ' OH ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -103.7 -3.11 25.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.624 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t 74.96 133.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.969 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.92 14.76 30.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.71 ' CZ ' ' CD2' ' A' ' 18' ' ' HIS . 11.0 m-30 -110.77 -163.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 0.797 . . . . 0.0 111.078 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.662 HG12 ' N ' ' A' ' 40' ' ' GLY . 50.7 t -78.52 -97.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.662 ' N ' HG12 ' A' ' 39' ' ' VAL . . . 170.49 40.73 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.09 -84.02 0.56 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.74 . . . . 0.0 109.389 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -127.85 2.32 6.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 8.8 m 82.65 69.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.289 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.598 ' OE2' ' CE2' ' A' ' 17' ' ' PHE . 4.9 tt0 -144.32 -42.9 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.266 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.16 157.66 18.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.569 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.43 110.56 14.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 48' ' ' LEU . 10.3 t0 -52.62 -97.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.447 ' N ' ' CG ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER 58.21 17.74 4.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.438 HD23 ' H ' ' A' ' 50' ' ' ALA . 1.3 tp -123.19 -107.48 0.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.438 ' H ' HD23 ' A' ' 49' ' ' LEU . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 117.073 -1.441 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.524 ' O ' ' C ' ' A' ' 2' ' ' VAL . 1.9 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.814 HG22 ' N ' ' A' ' 3' ' ' SER . 0.8 OUTLIER 31.28 -97.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.393 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.814 ' N ' HG22 ' A' ' 2' ' ' VAL . 17.2 t 174.86 175.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.045 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -126.5 -166.42 1.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 109.616 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.547 ' CD1' ' HB2' ' A' ' 22' ' ' ARG . 12.2 p90 -106.88 151.19 25.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -138.75 -90.86 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.411 ' O ' ' CB ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -88.03 147.66 24.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.2 p -130.94 141.61 42.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 108.297 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.571 ' HD3' ' CD2' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.02 -97.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.45 1.763 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.541 ' HA ' ' CD1' ' A' ' 15' ' ' PHE . 1.5 p30 156.57 46.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -52.04 -173.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.943 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -91.12 30.52 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.621 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.538 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 1.5 t -86.39 18.21 3.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER 89.12 -22.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.558 ' CE1' ' SG ' ' A' ' 21' ' ' CYS . 1.6 t80 31.48 -145.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 110.968 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.288 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -150.01 154.35 38.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 108.316 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.573 ' CG ' ' HB3' ' A' ' 44' ' ' GLU . 8.7 m-85 -94.56 -32.25 13.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.963 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 3.5 t-160 -163.5 69.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.59 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.99 -175.64 15.56 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -77.15 106.62 8.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.745 . . . . 0.0 110.417 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.558 ' SG ' ' CE1' ' A' ' 15' ' ' PHE . 4.1 t -92.77 142.18 27.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 108.249 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.547 ' HB2' ' CD1' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -157.72 108.73 2.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 0.0 110.341 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.571 ' CD2' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -87.68 107.88 18.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.997 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 28' ' ' ASP . 1.4 mt -72.87 75.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.485 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -46.82 -49.15 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.528 ' NE2' ' O ' ' A' ' 3' ' ' SER . 0.4 OUTLIER -54.47 -26.71 32.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 28' ' ' ASP . 3.0 tp10 -108.2 2.79 23.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.591 1.182 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER 37.12 60.7 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.26 123.94 1.99 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 124.73 8.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.46 ' O ' ' CG ' ' A' ' 22' ' ' ARG . . . -146.38 122.46 10.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.172 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.288 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 31.0 p -116.25 -170.6 1.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 108.314 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 20' ' ' THR . 53.6 t -152.34 149.17 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 39' ' ' VAL . 12.5 t -52.94 167.91 0.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 108.257 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -107.86 150.81 26.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.524 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.41 132.73 49.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.602 1.189 . . . . 0.0 109.965 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.37 56.35 14.05 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.562 1.164 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.614 ' CD2' ' O ' ' A' ' 45' ' ' HIS . 0.1 OUTLIER -144.11 -160.58 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 111.004 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.459 HG13 ' O ' ' A' ' 45' ' ' HIS . 13.6 m -98.95 -157.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -120.06 -148.65 8.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.121 . . . . 0.0 110.956 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 57.81 -91.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.4 HH21 ' HB2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -111.94 -12.6 13.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.348 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.1 m 68.17 49.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 108.367 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.573 ' HB3' ' CG ' ' A' ' 17' ' ' PHE . 2.7 pm0 -93.16 -25.1 18.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.572 1.17 . . . . 0.0 110.272 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.614 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 3.0 m170 -107.2 160.36 15.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.646 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.41 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . . . -111.35 103.88 12.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.697 ' O ' HD22 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -52.01 162.71 0.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.697 HD22 ' O ' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -146.9 -163.09 1.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.1 50.53 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.138 0 CA-C-O 116.961 -1.495 . . . . 0.0 109.318 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.766 HG22 ' N ' ' A' ' 3' ' ' SER . 0.4 OUTLIER -138.11 -91.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.382 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.766 ' N ' HG22 ' A' ' 2' ' ' VAL . 1.4 p -39.41 134.48 1.21 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -147.37 73.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.597 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.822 ' HB2' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -103.62 165.46 11.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.605 ' O ' ' CZ ' ' A' ' 5' ' ' PHE . 2.6 m-80 -140.7 -88.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.58 164.52 19.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -111.38 103.41 54.97 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 108.264 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 10' ' ' ASP . 18.2 Cg_endo -75.08 -172.98 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -39.39 -44.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.435 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 20.0 t -38.87 158.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.61 ' CE1' ' SG ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER 82.71 -48.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.581 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 14' ' ' GLN . 73.0 p 48.8 -89.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.357 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 12' ' ' HIS . 2.4 mp0 -93.79 -104.34 0.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.476 ' CB ' ' O ' ' A' ' 14' ' ' GLN . 0.4 OUTLIER 73.82 -3.01 2.61 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.524 1.14 . . . . 0.0 110.956 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -165.01 143.24 6.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 108.277 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.622 ' CD2' ' O ' ' A' ' 44' ' ' GLU . 1.3 m-85 -69.41 -30.04 67.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.792 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -177.52 80.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.598 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -146.89 -172.09 16.81 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.55 168.95 19.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 110.418 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.61 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 44.3 t -126.18 148.74 49.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 108.279 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.11 137.92 14.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.255 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -129.25 109.23 10.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.822 HD12 ' HB2' ' A' ' 5' ' ' PHE . 2.0 tp -77.17 81.82 3.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.427 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -42.74 -45.01 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.51 ' OE1' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -50.0 -40.5 44.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' ASP . 10.0 mt-10 -100.62 4.35 43.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 27' ' ' GLU . 46.7 t0 36.63 48.64 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 5.4 pttp -140.05 139.08 20.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 29' ' ' LYS . 18.4 Cg_endo -74.92 148.84 36.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.561 1.822 . . . . 0.0 111.074 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.45 109.38 1.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.602 1.189 . . . . 0.0 109.23 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -96.8 167.19 11.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 108.303 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.6 t -131.9 156.54 42.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 m -64.85 -177.53 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 108.323 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -125.12 12.41 8.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.566 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 p 79.14 143.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.9 29.95 62.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.622 ' CD2' ' HB3' ' A' ' 43' ' ' CYS . 0.1 OUTLIER -105.35 -175.83 2.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 0.746 . . . . 0.0 111.063 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.527 HG12 ' H ' ' A' ' 40' ' ' GLY . 1.9 t -153.71 -142.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.527 ' H ' HG12 ' A' ' 39' ' ' VAL . . . 38.25 -129.02 1.69 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 42' ' ' ARG . . . -147.23 146.25 29.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER 75.97 -1.15 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.622 ' HB3' ' CD2' ' A' ' 38' ' ' TYR . 9.6 m 81.25 18.41 0.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 108.269 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.622 ' O ' ' CD2' ' A' ' 17' ' ' PHE . 34.1 mt-10 -68.31 -52.3 35.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.488 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 5.1 m170 -88.05 169.55 11.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.53 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.604 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -151.89 147.14 26.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.511 ' N ' HG23 ' A' ' 39' ' ' VAL . 2.1 p-10 -42.02 162.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.407 1.067 . . . . 0.0 109.351 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.608 HD22 ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -140.72 168.03 20.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.3 mt -123.14 -107.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.228 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 116.997 -1.477 . . . . 0.0 109.285 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' A' ' 3' ' ' SER . 16.4 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.808 HG22 ' N ' ' A' ' 3' ' ' SER . 0.3 OUTLIER 33.98 -94.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.808 ' N ' HG22 ' A' ' 2' ' ' VAL . 0.3 OUTLIER -36.21 154.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.011 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.579 ' N ' HG12 ' A' ' 25' ' ' VAL . 2.4 p80 45.25 -171.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 109.638 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -86.47 140.51 29.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.463 ' CB ' ' N ' ' A' ' 1' ' ' VAL . 0.2 OUTLIER -153.37 -94.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.4 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 17.7 m-20 -86.0 1.05 51.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.646 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 21.2 p 42.71 52.7 8.01 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 108.274 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.646 ' HD3' ' N ' ' A' ' 8' ' ' CYS . 18.4 Cg_endo -74.98 138.0 22.51 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.459 1.768 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.565 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 1.3 p30 150.11 31.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 10' ' ' ASP . 4.9 t 60.52 138.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.562 ' HB3' ' CD1' ' A' ' 15' ' ' PHE . 25.2 m80 73.77 8.75 4.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.613 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.646 HG22 ' O ' ' A' ' 8' ' ' CYS . 72.5 p -34.82 -71.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.478 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 32' ' ' CYS . 35.9 mt-30 -44.95 -70.6 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 110.387 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 12' ' ' HIS . 0.0 OUTLIER 67.04 10.15 7.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.172 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -146.44 121.11 9.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 108.26 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -72.91 -1.87 18.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.655 ' CD2' ' CE1' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -169.8 67.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.571 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.467 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -171.39 179.17 43.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -89.5 172.04 9.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 110.371 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 15.2 t -126.28 146.89 49.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 108.314 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 31' ' ' ALA . 11.0 ttt180 -153.06 123.34 7.09 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.63 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 43.2 t80 -140.52 109.79 6.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' ASP . 9.8 tp -76.25 79.89 3.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.614 HG23 ' HE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -41.68 -40.57 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.34 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.406 ' CG ' ' HA ' ' A' ' 4' ' ' HIS . 6.5 mt-30 -44.77 -44.79 9.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 28' ' ' ASP . 2.1 mm-40 -119.78 17.1 12.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 110.285 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.63 ' HA ' ' CZ ' ' A' ' 23' ' ' PHE . 71.4 m-20 38.2 66.79 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.5 mtmm -118.17 95.63 48.65 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.578 1.173 . . . . 0.0 109.307 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 123.19 7.74 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.542 1.812 . . . . 0.0 111.056 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 22' ' ' ARG . . . -162.38 112.75 1.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.172 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -98.16 149.6 22.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 108.319 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.532 HG12 ' N ' ' A' ' 34' ' ' CYS . 69.6 t -108.1 167.03 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 109.298 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.532 ' N ' HG12 ' A' ' 33' ' ' VAL . 4.1 t -77.79 174.85 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 108.342 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.538 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -109.51 -77.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.069 . . . . 0.0 109.624 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.7 p 156.76 148.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.988 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.495 ' C ' ' CD1' ' A' ' 38' ' ' TYR . . . 92.26 17.02 48.22 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.127 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.655 ' CE1' ' CD2' ' A' ' 18' ' ' HIS . 1.2 m-85 -137.96 -158.91 0.9 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.519 0.776 . . . . 0.0 111.048 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.485 ' O ' ' C ' ' A' ' 40' ' ' GLY . 2.8 t -153.28 -46.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.485 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -30.65 140.3 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.105 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.63 -53.66 29.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.584 0.814 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.458 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -79.28 -14.46 59.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 7.2 m 84.46 56.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 108.376 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -114.17 -32.62 5.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 110.353 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -100.67 148.58 24.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.606 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.35 89.68 4.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.462 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 3.4 t70 55.21 167.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.453 ' N ' ' CG ' ' A' ' 47' ' ' ASP . 0.3 OUTLIER -91.68 22.22 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.437 ' CB ' ' OD2' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -144.2 51.2 1.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.263 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.133 0 CA-C-O 116.968 -1.492 . . . . 0.0 109.254 179.918 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 88.6 t . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.491 HG12 ' H ' ' A' ' 3' ' ' SER . 2.7 t -77.18 170.22 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.491 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.3 OUTLIER -50.04 92.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.021 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.497 ' CE1' ' OE1' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -106.58 130.97 54.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.586 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.58 ' HZ ' HH11 ' A' ' 22' ' ' ARG . 1.8 t80 42.33 87.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.412 ' ND2' ' H ' ' A' ' 6' ' ' ASN . 0.2 OUTLIER -96.21 -152.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 8' ' ' CYS . 1.2 m-20 -76.89 -0.6 24.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 7' ' ' ASP . 1.7 t 57.78 106.72 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.341 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 10' ' ' ASP . 18.3 Cg_endo -75.01 179.03 6.49 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.445 1.761 . . . . 0.0 110.976 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.497 ' O ' ' C ' ' A' ' 11' ' ' SER . 3.4 m-20 -39.17 -66.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.497 ' C ' ' O ' ' A' ' 10' ' ' ASP . 94.5 p 31.65 -96.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 0.0 110.039 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.68 ' CE1' ' CE2' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -76.99 89.88 3.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 109.544 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.444 ' C ' ' N ' ' A' ' 15' ' ' PHE . 1.2 p -88.06 -166.96 1.73 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.78 ' HB3' HH22 ' A' ' 42' ' ' ARG . 2.1 mt-30 40.3 27.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 0.0 110.319 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.444 ' N ' ' C ' ' A' ' 13' ' ' THR . 1.2 t80 -111.73 -17.42 12.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.281 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -162.25 107.65 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 108.357 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.478 ' CD2' ' HG3' ' A' ' 44' ' ' GLU . 0.1 OUTLIER -73.98 -15.54 61.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.469 ' CE1' ' OH ' ' A' ' 38' ' ' TYR . 4.5 t-160 -168.43 71.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.579 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.508 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -156.91 178.6 33.24 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.472 ' CB ' ' HB ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -82.86 171.47 13.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 0.784 . . . . 0.0 110.391 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 3.6 t -129.73 141.43 50.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.102 . . . . 0.0 108.279 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.58 HH11 ' HZ ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -149.32 109.11 4.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.68 ' CE2' ' CE1' ' A' ' 12' ' ' HIS . 0.8 OUTLIER -114.13 103.54 11.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 25' ' ' VAL . 1.7 tp -68.85 67.78 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -40.17 -40.83 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.37 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.497 ' OE1' ' CE1' ' A' ' 4' ' ' HIS . 1.5 mt-30 -44.92 -42.15 7.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -119.66 17.23 12.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 27' ' ' GLU . 10.3 t70 37.69 63.36 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.252 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -127.05 114.8 21.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.573 ' HB3' ' CE1' ' A' ' 12' ' ' HIS . 18.3 Cg_endo -75.01 129.29 12.19 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.548 1.815 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.88 98.29 1.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.281 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.6 OUTLIER -96.71 145.83 25.43 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 108.242 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.737 HG12 ' H ' ' A' ' 35' ' ' HIS . 16.2 t -79.43 136.03 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -81.25 3.61 23.34 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.444 1.09 . . . . 0.0 108.277 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.737 ' H ' HG12 ' A' ' 33' ' ' VAL . 0.1 OUTLIER 63.2 65.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.582 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 35' ' ' HIS . 0.6 OUTLIER -32.8 123.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.96 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.81 -8.47 5.5 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.078 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.494 ' O ' HG23 ' A' ' 39' ' ' VAL . 4.4 m-85 -101.68 -170.17 1.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 0.746 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.602 HG21 ' HB2' ' A' ' 47' ' ' ASP . 45.6 t -155.28 -38.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.5 ' O ' ' C ' ' A' ' 41' ' ' ALA . . . -30.49 150.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.5 ' C ' ' O ' ' A' ' 40' ' ' GLY . . . -32.83 -78.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 0.728 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.78 HH22 ' HB3' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -66.16 -62.48 1.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 1.0 OUTLIER 156.85 52.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 108.256 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.478 ' HG3' ' CD2' ' A' ' 17' ' ' PHE . 0.6 OUTLIER -111.79 -40.37 4.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.252 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -80.58 164.17 23.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 109.602 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 38' ' ' TYR . . . -139.82 119.57 13.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.602 ' HB2' HG21 ' A' ' 39' ' ' VAL . 16.0 t0 -54.97 163.16 1.07 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.422 1.076 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.453 ' C ' HD12 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -126.66 17.9 7.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.453 HD12 ' C ' ' A' ' 48' ' ' LEU . 7.4 mp -123.18 -107.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 117.048 -1.453 . . . . 0.0 109.276 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 1' ' ' VAL . 5.9 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 3' ' ' SER . 8.9 p -84.8 -48.85 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.467 ' N ' HG13 ' A' ' 2' ' ' VAL . 0.0 OUTLIER 61.3 120.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.583 ' O ' ' CD2' ' A' ' 5' ' ' PHE . 1.5 t60 -100.21 -141.5 0.33 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.497 1.123 . . . . 0.0 109.551 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.922 ' CE2' HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER 160.81 106.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -159.52 -111.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.0 106.09 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.596 1.185 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.579 ' HA ' ' HB3' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -86.28 -55.08 0.39 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 108.247 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 8' ' ' CYS . 18.2 Cg_endo -75.0 104.6 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.466 1.771 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.585 ' O ' ' CB ' ' A' ' 11' ' ' SER . 3.5 m-20 -162.04 22.71 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.585 ' CB ' ' O ' ' A' ' 10' ' ' ASP . 1.6 m 151.17 98.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.585 ' CG ' ' O ' ' A' ' 11' ' ' SER . 5.3 m170 92.21 9.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 109.638 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.423 ' C ' ' H ' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -41.53 -24.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 110.485 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.474 ' N ' ' C ' ' A' ' 12' ' ' HIS . 1.6 mt-30 -81.95 27.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.245 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -89.87 10.73 22.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.963 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.106 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -153.81 114.84 4.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 108.283 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.605 ' CE2' ' CD ' ' A' ' 44' ' ' GLU . 62.0 m-85 -52.07 -47.67 65.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -167.27 79.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.553 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.474 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -142.58 -177.06 17.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' ' CB ' ' A' ' 32' ' ' CYS . 1.9 m -78.53 152.41 31.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 0.729 . . . . 0.0 110.383 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -101.14 135.64 42.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.401 1.063 . . . . 0.0 108.321 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -154.74 93.31 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.236 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.635 ' HE2' HG23 ' A' ' 25' ' ' VAL . 3.4 t80 -132.11 118.79 20.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.061 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.922 HD22 ' CE2' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -83.97 104.29 13.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.362 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.635 HG23 ' HE2' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -49.87 -54.11 8.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.179 . . . . 0.0 109.344 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.554 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 9.8 mm-40 -57.89 -17.78 18.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.073 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.567 ' O ' ' C ' ' A' ' 28' ' ' ASP . 2.8 tp10 -114.86 4.72 14.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' A' ' 24' ' ' LEU . 1.3 p30 26.69 47.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -119.95 100.8 48.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.602 1.189 . . . . 0.0 109.252 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.468 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.1 132.71 15.59 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -162.37 118.15 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.106 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.6 OUTLIER -115.9 122.44 45.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.107 . . . . 0.0 108.34 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.677 HG13 ' N ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER -82.0 177.16 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.677 ' N ' HG13 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -64.06 -167.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 108.363 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.474 ' HB2' ' HA2' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -137.23 32.77 2.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.659 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.21 89.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.07 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.614 ' C ' ' CD1' ' A' ' 38' ' ' TYR . . . 147.34 40.85 0.04 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.614 ' CD1' ' C ' ' A' ' 37' ' ' GLY . 83.1 m-85 -158.86 -171.54 3.45 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.58 0.812 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.656 HG12 ' N ' ' A' ' 40' ' ' GLY . 73.6 t -86.78 -103.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.656 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -140.34 -173.7 13.5 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 80.45 -133.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 0.732 . . . . 0.0 109.337 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.37 12.71 7.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 75.79 38.16 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 108.277 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.605 ' CD ' ' CE2' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -89.13 -39.22 13.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.401 ' HB3' HG21 ' A' ' 39' ' ' VAL . 3.0 m170 -81.59 161.62 23.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.591 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.23 113.25 9.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.467 ' N ' HG23 ' A' ' 39' ' ' VAL . 37.0 t0 -52.31 161.52 0.64 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.127 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.737 ' C ' HD12 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -120.05 17.79 12.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.737 HD12 ' C ' ' A' ' 48' ' ' LEU . 8.3 mp -123.14 -107.47 0.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 116.993 -1.479 . . . . 0.0 109.34 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.857 HG23 HG23 ' A' ' 2' ' ' VAL . 29.9 m . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.857 HG23 HG23 ' A' ' 1' ' ' VAL . 5.5 t 60.26 160.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 2' ' ' VAL . 0.2 OUTLIER -57.36 -160.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.999 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.54 ' O ' ' CD2' ' A' ' 5' ' ' PHE . 2.3 p-80 -166.55 -44.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 109.654 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.659 ' CE1' ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER 177.63 161.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 111.035 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.588 HD22 ' HB ' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -145.97 -174.2 4.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.52 159.52 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 0.0 109.29 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.415 ' SG ' ' C ' ' A' ' 21' ' ' CYS . 7.8 p -122.46 98.78 43.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 0.0 108.308 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 178.9 6.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.53 1.805 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -91.26 -63.34 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 13' ' ' THR . 60.1 p 35.98 35.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.027 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.595 ' O ' HG22 ' A' ' 13' ' ' THR . 34.3 m170 48.98 -93.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.573 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 12' ' ' HIS . 6.8 t 47.52 21.27 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.417 ' C ' HH11 ' A' ' 42' ' ' ARG . 14.0 mt-30 66.28 55.95 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.345 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -83.55 -155.21 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.176 . . . . 0.0 110.994 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.447 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -110.24 125.27 52.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 0.0 108.32 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.591 ' CD1' ' CD ' ' A' ' 44' ' ' GLU . 0.4 OUTLIER -60.36 -24.13 64.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 111.031 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.529 ' CG ' ' OH ' ' A' ' 38' ' ' TYR . 1.8 t-80 -164.65 72.46 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.589 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.467 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -153.24 -170.6 19.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.421 1.075 . . . . 0.0 111.06 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.488 HG23 ' NE2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -78.27 158.87 28.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 110.391 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.491 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 24.2 p -138.3 145.73 41.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 108.292 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -156.27 120.07 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.541 ' C ' ' CE1' ' A' ' 5' ' ' PHE . 6.5 t80 -109.48 101.25 10.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.172 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.659 ' N ' ' CE1' ' A' ' 5' ' ' PHE . 0.4 OUTLIER -66.61 78.66 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.369 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.588 ' HB ' HD22 ' A' ' 6' ' ' ASN . 0.3 OUTLIER -39.81 -48.12 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.467 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 17.8 mt-30 -37.19 -45.85 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.318 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.556 ' O ' ' C ' ' A' ' 28' ' ' ASP . 5.3 mt-10 -122.76 24.88 8.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.556 ' C ' ' O ' ' A' ' 27' ' ' GLU . 15.6 p-10 27.62 46.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -102.78 107.29 54.0 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.66 6.16 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.583 1.833 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' A' ' 22' ' ' ARG . . . -148.1 117.31 6.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -106.09 176.19 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 108.249 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 34' ' ' CYS . 42.5 t -140.3 154.09 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.456 ' O ' HG12 ' A' ' 33' ' ' VAL . 19.6 t -73.51 166.97 22.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.441 1.088 . . . . 0.0 108.312 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.488 ' NE2' HG23 ' A' ' 20' ' ' THR . 0.0 OUTLIER -118.3 97.43 5.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.664 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 35' ' ' HIS . 1.3 t -35.73 124.53 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.056 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.06 0.39 6.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.529 ' OH ' ' CG ' ' A' ' 18' ' ' HIS . 36.4 m-85 -114.43 -168.12 1.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.556 ' CG2' ' N ' ' A' ' 47' ' ' ASP . 2.0 t -131.71 -72.12 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -32.8 148.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.471 1.107 . . . . 0.0 111.08 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.93 -62.86 1.36 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 0.786 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.514 ' CG ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -61.65 -18.76 60.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.403 1.065 . . . . 0.0 110.312 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 3.8 m 87.93 43.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.483 1.114 . . . . 0.0 108.291 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.591 ' CD ' ' CD1' ' A' ' 17' ' ' PHE . 3.6 tp10 -87.8 -36.56 17.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.392 1.058 . . . . 0.0 110.338 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -93.81 158.32 15.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.61 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 47' ' ' ASP . . . -123.45 109.42 13.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.556 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 5.6 t70 54.88 168.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.463 ' CD1' HG11 ' A' ' 39' ' ' VAL . 1.0 OUTLIER -90.87 19.53 5.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.389 1.056 . . . . 0.0 109.263 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.436 ' N ' ' OD2' ' A' ' 47' ' ' ASP . 0.3 OUTLIER 59.96 69.19 0.72 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.326 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.655 HG22 ' N ' ' A' ' 2' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.655 ' N ' HG22 ' A' ' 1' ' ' VAL . 18.0 m -72.8 -34.14 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.96 116.9 1.18 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.108 . . . . 0.0 110.009 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.613 ' CD2' ' OD1' ' A' ' 6' ' ' ASN . 6.3 t60 -128.33 -65.65 0.89 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.543 1.152 . . . . 0.0 109.6 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.58 ' CE1' ' HA ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER 61.0 133.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.613 ' OD1' ' CD2' ' A' ' 4' ' ' HIS . 35.5 m120 -148.57 139.75 23.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 0.1 OUTLIER 44.33 -167.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.355 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -175.08 138.96 0.6 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 108.24 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.469 ' HG2' ' CB ' ' A' ' 13' ' ' THR . 18.2 Cg_endo -75.0 -173.66 1.65 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.517 1.798 . . . . 0.0 110.962 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' HIS . 25.2 t0 -135.41 -48.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 12' ' ' HIS . 12.4 t -62.09 79.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.57 1.169 . . . . 0.0 109.957 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.718 ' C ' HG22 ' A' ' 13' ' ' THR . 12.2 m-70 61.47 129.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.578 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.718 HG22 ' C ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER 166.58 -72.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.431 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.636 ' H ' HG23 ' A' ' 13' ' ' THR . 3.7 pm0 -100.1 -16.38 17.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.61 ' CD2' ' O ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER 42.73 100.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.976 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.273 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -163.71 128.76 2.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.175 . . . . 0.0 108.336 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.469 ' CB ' ' HA ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -91.76 -10.77 38.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.614 ' CD2' ' O ' ' A' ' 43' ' ' CYS . 0.8 OUTLIER -170.62 82.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.538 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.92 162.65 36.43 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.437 1.085 . . . . 0.0 110.978 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.505 ' CB ' HH21 ' A' ' 22' ' ' ARG . 0.1 OUTLIER -75.79 120.61 21.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 0.758 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.453 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 22.6 p -80.82 135.64 35.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 108.29 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.636 ' HD2' HG23 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -150.89 100.63 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 28' ' ' ASP . 71.9 t80 -99.79 107.03 18.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -68.9 77.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -42.77 -40.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.404 1.065 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.46 ' CG ' ' HB3' ' A' ' 4' ' ' HIS . 2.7 mm-40 -50.4 -40.3 49.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 24' ' ' LEU . 3.8 mm-40 -112.8 9.72 19.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER 37.19 45.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.51 ' O ' HD12 ' A' ' 24' ' ' LEU . 4.2 mtmt -121.11 130.62 24.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 29' ' ' LYS . 18.0 Cg_endo -75.03 134.6 17.96 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.52 1.8 . . . . 0.0 110.973 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -160.46 101.97 1.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.273 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 32.0 p -110.21 125.51 53.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 108.269 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.636 HG23 ' HD2' ' A' ' 22' ' ' ARG . 55.8 t -78.81 109.75 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 33' ' ' VAL . 1.3 m -40.06 157.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.129 . . . . 0.0 108.25 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.529 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -103.42 97.9 7.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.606 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 35' ' ' HIS . 7.0 p -37.59 153.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.985 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.86 39.3 4.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.531 ' CA ' ' HA ' ' A' ' 46' ' ' ALA . 3.0 p90 -155.48 -146.43 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 0.75 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.613 HG12 ' N ' ' A' ' 40' ' ' GLY . 66.6 t -105.38 -111.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.613 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -166.44 -136.17 1.98 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.6 1.188 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 74.96 -84.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 0.76 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -138.95 14.02 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.614 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.1 OUTLIER 75.42 47.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 108.237 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.469 ' HA ' ' CB ' ' A' ' 17' ' ' PHE . 7.4 pt-20 -117.46 -33.02 4.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -103.23 145.05 30.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.57 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.531 ' HA ' ' CA ' ' A' ' 38' ' ' TYR . . . -138.54 118.12 13.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.41 ' N ' HG23 ' A' ' 39' ' ' VAL . 20.9 t70 -51.71 159.23 0.82 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.07 HD11 ' HB2' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -118.13 -5.31 10.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.696 ' N ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER 70.94 78.05 0.18 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 1.07 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 117.057 -1.449 . . . . 0.0 109.233 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.824 HG12 HG23 ' A' ' 2' ' ' VAL . 72.9 t . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.824 HG23 HG12 ' A' ' 1' ' ' VAL . 2.8 t 85.33 -44.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.635 ' O ' ' CE2' ' A' ' 5' ' ' PHE . 31.2 t -40.1 95.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.635 ' O ' ' CD1' ' A' ' 5' ' ' PHE . 25.3 t-80 43.39 81.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.572 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.635 ' CE2' ' O ' ' A' ' 3' ' ' SER . 29.6 m-85 -156.09 48.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 8' ' ' CYS . 18.2 m-80 -134.03 -104.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.364 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' ASN . 20.6 m-20 39.09 30.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.275 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.512 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -49.2 113.23 2.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 108.267 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 18.3 Cg_endo -74.96 -170.89 0.84 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.548 1.815 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 12' ' ' HIS . 5.0 m-20 77.95 -2.44 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.591 ' C ' ' CG ' ' A' ' 12' ' ' HIS . 11.4 t 36.81 33.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.976 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.591 ' CG ' ' C ' ' A' ' 11' ' ' SER . 0.0 OUTLIER 60.97 115.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.608 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 14' ' ' GLN . 4.4 t -137.56 -50.2 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.433 ' N ' HG23 ' A' ' 13' ' ' THR . 69.5 mt-30 -143.29 60.27 1.4 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -133.98 -79.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 111.064 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -129.66 114.48 16.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 108.309 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -81.11 -11.99 59.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.624 ' CD2' ' O ' ' A' ' 18' ' ' HIS . 33.5 p-80 -155.68 64.46 0.6 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.444 1.09 . . . . 0.0 109.601 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -164.84 175.65 40.76 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -77.81 168.19 20.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.536 0.786 . . . . 0.0 110.391 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -133.93 138.69 45.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 108.324 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 31' ' ' ALA . 11.9 ttt180 -149.32 138.27 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.725 ' HE2' HG23 ' A' ' 25' ' ' VAL . 17.4 t80 -140.45 109.28 6.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 111.048 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.684 HD23 ' CG ' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -66.67 91.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.725 HG23 ' HE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -49.93 -43.27 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.248 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.684 ' CG ' HD23 ' A' ' 24' ' ' LEU . 3.0 pt20 -56.02 -36.99 68.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 28' ' ' ASP . 2.3 mt-10 -101.45 4.04 40.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.62 ' HA ' ' CZ ' ' A' ' 23' ' ' PHE . 19.8 m-20 36.69 40.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.432 ' CE ' ' HB3' ' A' ' 27' ' ' GLU . 12.5 ptpt -123.08 125.48 26.24 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 143.5 29.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.485 1.782 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -162.24 93.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -89.79 140.66 29.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 108.264 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 20' ' ' THR . 97.4 t -103.62 153.64 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.475 ' SG ' ' OH ' ' A' ' 38' ' ' TYR . 1.3 m -77.13 -169.32 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.588 1.18 . . . . 0.0 108.271 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -122.24 -88.44 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.612 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 1.5 m 159.3 160.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.957 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.72 23.95 51.43 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.556 ' CG ' ' NE2' ' A' ' 18' ' ' HIS . 11.2 p90 -135.54 -147.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 111.075 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 45' ' ' HIS . 2.0 m -100.2 -107.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.374 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.526 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -161.84 -140.47 2.88 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.044 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 73.01 -86.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 0.779 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -148.25 21.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.51 ' C ' ' CE1' ' A' ' 18' ' ' HIS . 95.1 m 70.72 39.62 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 108.341 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -84.2 -29.96 26.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.779 ' O ' HG22 ' A' ' 39' ' ' VAL . 2.1 m80 -137.14 164.78 27.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.596 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.466 ' HA ' ' HB2' ' A' ' 38' ' ' TYR . . . -145.29 130.93 18.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.73 31.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.491 ' C ' HD12 ' A' ' 49' ' ' LEU . 0.4 OUTLIER 52.48 -156.96 0.15 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.491 HD12 ' C ' ' A' ' 48' ' ' LEU . 5.3 mp -121.82 -107.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 116.979 -1.486 . . . . 0.0 109.259 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 1.016 HG11 HE22 ' A' ' 26' ' ' GLN . 74.4 t 64.36 -88.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.451 ' O ' ' HB3' ' A' ' 4' ' ' HIS . 0.2 OUTLIER 163.38 -170.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.942 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.646 ' O ' ' CG ' ' A' ' 5' ' ' PHE . 0.3 OUTLIER 71.39 -103.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.573 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.646 ' CG ' ' O ' ' A' ' 4' ' ' HIS . 18.4 p90 43.64 -171.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.518 ' O ' ' CB ' ' A' ' 7' ' ' ASP . 0.9 OUTLIER -150.38 19.07 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 1.4 m-20 82.96 151.64 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.184 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 14.9 p -139.17 140.39 26.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 108.334 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.439 ' O ' ' OD1' ' A' ' 10' ' ' ASP . 18.3 Cg_endo -75.0 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.555 1.818 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.516 ' CG ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER 61.58 14.63 6.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.507 ' C ' ' O ' ' A' ' 10' ' ' ASP . 80.4 p -30.63 -41.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.5 OUTLIER -132.41 99.52 4.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.607 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 m -157.36 -67.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.403 1.065 . . . . 0.0 110.437 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -161.24 30.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.59 1.181 . . . . 0.0 110.336 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -117.1 -34.83 4.25 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.403 1.064 . . . . 0.0 111.011 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.143 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -160.95 129.59 4.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 108.301 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.492 ' O ' ' CB ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -44.24 -26.36 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.563 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 0.7 OUTLIER 162.81 85.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.565 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.462 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -138.0 -168.25 11.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.456 1.098 . . . . 0.0 111.032 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.849 ' HB ' HG12 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -95.11 104.51 16.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 0.794 . . . . 0.0 110.422 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 1.184 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 42.4 t -74.03 140.23 45.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 108.285 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -161.11 121.62 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.629 ' HE2' HG23 ' A' ' 25' ' ' VAL . 4.6 t80 -96.02 113.75 25.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.736 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -83.22 104.92 13.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.629 HG23 ' HE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -61.05 -38.61 79.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 1.016 HE22 HG11 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -34.2 -50.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' CG ' ' HB2' ' A' ' 29' ' ' LYS . 1.2 pm0 -118.49 1.23 11.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 24' ' ' LEU . 10.6 t70 53.14 56.64 7.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 26.9 mttt -126.7 116.04 22.63 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 15' ' ' PHE . 18.2 Cg_endo -75.01 125.08 9.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -156.97 154.19 29.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.143 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -107.54 -171.26 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 108.292 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.931 HG13 ' O ' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -147.09 56.24 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.245 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.514 ' O ' ' O ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER 34.85 -154.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 108.366 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.611 ' HE2' HG23 ' A' ' 20' ' ' THR . 0.0 OUTLIER -162.54 40.29 0.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.565 1.166 . . . . 0.0 109.626 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 35' ' ' HIS . 2.1 p 48.79 -179.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 48.49 22.23 2.45 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.105 . . . . 0.0 110.978 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.602 ' CD2' ' SG ' ' A' ' 43' ' ' CYS . 3.6 m-85 -129.25 -167.22 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 0.758 . . . . 0.0 110.94 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.729 HG12 ' H ' ' A' ' 40' ' ' GLY . 1.6 t -148.25 -166.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.729 ' H ' HG12 ' A' ' 39' ' ' VAL . . . 71.34 -163.43 54.12 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.413 1.07 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.4 -24.8 10.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.588 0.816 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.62 11.2 16.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 110.283 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.602 ' SG ' ' CD2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER 77.1 17.73 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 108.342 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -58.61 -44.01 89.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.75 173.41 7.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 38' ' ' TYR . . . -153.36 120.59 5.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -43.89 157.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.83 17.85 7.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -124.31 51.85 1.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 117.005 -1.474 . . . . 0.0 109.316 -179.925 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.489 HG23 HG22 ' A' ' 2' ' ' VAL . 4.2 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.489 HG22 HG23 ' A' ' 1' ' ' VAL . 0.2 OUTLIER -129.17 -101.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.424 ' H ' HG23 ' A' ' 2' ' ' VAL . 81.1 p 51.55 -179.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.408 ' O ' HG12 ' A' ' 25' ' ' VAL . 0.2 OUTLIER 61.65 50.41 4.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.608 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.571 ' CE2' ' HG ' ' A' ' 24' ' ' LEU . 1.1 t80 -179.14 64.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 6' ' ' ASN . 0.3 OUTLIER -138.51 -75.96 0.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' ASN . 0.6 OUTLIER -38.63 114.36 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.422 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 1.6 p -133.99 119.19 14.54 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 108.282 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.537 ' HD2' HG21 ' A' ' 13' ' ' THR . 18.4 Cg_endo -74.95 170.86 19.47 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.542 1.811 . . . . 0.0 111.027 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 12' ' ' HIS . 0.7 OUTLIER -77.16 -65.42 0.95 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.9 t -46.49 96.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.977 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.684 ' O ' HG22 ' A' ' 13' ' ' THR . 0.0 OUTLIER 74.69 156.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.618 1.199 . . . . 0.0 109.636 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.684 HG22 ' O ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER 86.67 -23.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -104.39 21.31 16.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.283 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.593 ' CZ ' ' HA ' ' A' ' 12' ' ' HIS . 22.6 m-85 -63.25 74.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.097 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -162.27 114.8 1.7 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 108.275 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -72.4 -13.22 61.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.432 ' O ' ' HB2' ' A' ' 35' ' ' HIS . 2.0 t-80 -163.57 71.54 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 109.582 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.472 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -168.93 165.16 38.7 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -72.36 163.94 27.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 0.805 . . . . 0.0 110.413 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.61 ' SG ' HG23 ' A' ' 13' ' ' THR . 3.7 t -121.6 139.3 53.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 108.275 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.562 ' HG2' ' CD1' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -152.57 147.85 26.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 110.349 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.613 ' CE2' ' HA ' ' A' ' 28' ' ' ASP . 57.3 t80 -133.42 115.13 14.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.646 HD22 ' HB2' ' A' ' 26' ' ' GLN . 0.4 OUTLIER -67.19 72.21 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.353 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -39.84 -43.61 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.646 ' HB2' HD22 ' A' ' 24' ' ' LEU . 27.4 mt-30 -46.85 -43.99 19.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -113.99 15.37 18.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.285 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.613 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 7.2 p-10 36.35 47.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -118.42 141.76 30.24 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.587 1.179 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.581 ' HG3' ' CD2' ' A' ' 12' ' ' HIS . 18.3 Cg_endo -75.06 140.3 25.12 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.514 1.797 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -162.74 100.63 1.02 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.472 1.108 . . . . 0.0 109.256 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.097 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -99.4 139.59 34.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 108.32 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' THR . 39.6 t -92.99 159.69 2.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.454 ' SG ' ' CB ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -68.95 -155.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 108.309 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.546 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -142.89 69.69 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.569 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.2 t 89.59 66.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.095 . . . . 0.0 110.013 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 40.99 39.61 2.05 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.092 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.997 ' CE1' ' HB2' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -75.6 163.93 26.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 110.889 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.622 HG12 ' N ' ' A' ' 40' ' ' GLY . 96.3 t -135.52 -110.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.622 ' N ' HG12 ' A' ' 39' ' ' VAL . . . 58.21 -136.52 50.88 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.458 1.099 . . . . 0.0 110.95 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.45 ' O ' ' CB ' ' A' ' 42' ' ' ARG . . . -117.24 101.28 8.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.478 0.752 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.565 HH21 ' HB3' ' A' ' 15' ' ' PHE . 3.4 ttt180 80.48 29.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 0.0 110.317 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 42' ' ' ARG . 8.3 m 67.98 39.68 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 108.281 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -87.56 -43.54 11.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.544 1.153 . . . . 0.0 110.323 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.419 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 6.8 m80 -104.94 -176.17 3.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.997 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . . . -132.05 113.5 13.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.597 ' HB2' HG21 ' A' ' 39' ' ' VAL . 14.1 t70 -40.27 157.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 tp 78.35 158.78 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.11 -107.43 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 116.988 -1.482 . . . . 0.0 109.348 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.663 HG13 ' O ' ' A' ' 1' ' ' VAL . 5.9 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 3' ' ' SER . 40.2 t -67.25 160.65 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.401 ' N ' HG12 ' A' ' 2' ' ' VAL . 64.3 p -40.92 161.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.993 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.712 ' HE1' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -146.43 152.15 38.58 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 109.61 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' A' ' 6' ' ' ASN . 3.3 t80 57.17 157.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.6 ' O ' ' CE2' ' A' ' 5' ' ' PHE . 15.0 m120 -120.1 -91.67 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.408 ' HA ' ' CZ ' ' A' ' 5' ' ' PHE . 0.7 OUTLIER -164.8 27.76 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 56.71 93.2 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 108.32 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -178.89 4.46 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.478 1.778 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 12' ' ' HIS . 1.6 p30 -54.96 -19.74 7.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 10' ' ' ASP . 56.6 m -37.2 -32.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.622 ' CE1' ' HB3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -151.43 84.93 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.552 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.4 t -81.66 -9.71 59.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.411 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 4.7 mt-30 -118.36 -115.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.417 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 2.3 t80 65.21 5.43 3.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.133 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -162.51 172.18 15.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 108.318 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 44' ' ' GLU . 5.1 t80 -85.64 -57.89 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.763 ' CD2' ' CZ ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -164.52 64.55 0.14 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.45 1.094 . . . . 0.0 109.642 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -126.65 -163.55 11.52 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.775 ' CB ' HG22 ' A' ' 33' ' ' VAL . 1.7 m -79.47 -175.12 4.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.512 ' H ' HG22 ' A' ' 20' ' ' THR . 0.5 OUTLIER -142.21 147.15 36.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 108.355 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -162.39 116.71 1.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -117.24 103.33 10.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.712 HD11 ' HE1' ' A' ' 4' ' ' HIS . 1.2 tp -77.31 77.36 3.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.413 1.071 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -48.47 -46.52 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.447 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -38.73 -44.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 28' ' ' ASP . 6.5 mm-40 -120.56 22.05 11.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 27' ' ' GLU . 60.5 t0 35.51 71.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -122.61 86.2 49.13 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.372 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.622 ' HB3' ' CE1' ' A' ' 12' ' ' HIS . 18.4 Cg_endo -74.97 113.14 3.72 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.455 1.766 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -161.83 151.4 16.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.133 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -109.01 -178.8 3.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 108.333 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.775 HG22 ' CB ' ' A' ' 20' ' ' THR . 1.8 m -130.33 164.61 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.24 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.459 ' N ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -75.86 166.86 22.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 108.245 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.405 ' HB2' ' HH ' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -118.04 15.28 14.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.613 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m 60.15 153.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 109.939 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.85 -10.15 60.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.763 ' CZ ' ' CD2' ' A' ' 18' ' ' HIS . 3.3 p90 -161.98 -170.52 2.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 111.037 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.65 HG23 ' N ' ' A' ' 40' ' ' GLY . 15.6 m -155.32 -138.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.188 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.65 ' N ' HG23 ' A' ' 39' ' ' VAL . . . 113.55 18.56 6.99 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 79.84 -55.29 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 0.774 . . . . 0.0 109.26 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.452 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -103.21 -4.37 24.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 19.0 m 84.2 69.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 108.22 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 17.3 pt-20 -132.95 -41.79 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.216 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.409 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 12.8 m-70 -92.38 150.15 20.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.442 ' HA ' ' HB2' ' A' ' 38' ' ' TYR . . . -117.13 112.5 20.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 46' ' ' ALA . 12.2 t70 -41.14 161.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.358 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.597 HD13 ' H ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -167.31 -114.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.597 ' H ' HD13 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -121.9 50.54 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 CA-C-O 117.01 -1.471 . . . . 0.0 109.327 -179.943 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.828 ' HA ' HG12 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -135.55 178.2 7.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -153.89 -87.62 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.32 101.83 2.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.582 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -72.29 -48.92 9.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 108.281 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 8' ' ' CYS . 18.1 Cg_endo -75.03 129.08 11.98 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' A' ' 11' ' ' SER . 5.0 m-20 -167.15 35.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' A' ' 10' ' ' ASP . 1.4 m 88.13 -42.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 110.047 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.427 ' CD2' ' HG3' ' A' ' 30' ' ' PRO . 76.4 m-70 -70.08 -7.39 40.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.56 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -62.8 -10.88 14.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.419 ' HA ' ' OE1' ' A' ' 14' ' ' GLN . 2.5 tp-100 -77.17 2.03 16.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.584 ' HA ' HH12 ' A' ' 42' ' ' ARG . 7.2 m-85 -86.95 19.41 3.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 1.133 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -150.88 131.59 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 108.309 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.598 ' CG ' ' HA ' ' A' ' 44' ' ' GLU . 25.9 t80 -82.71 -41.02 19.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.765 ' CD2' ' CZ ' ' A' ' 38' ' ' TYR . 14.8 t60 -170.85 78.65 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.603 1.189 . . . . 0.0 109.611 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.419 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -157.97 -167.25 18.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.562 1.164 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -73.54 152.13 40.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 0.785 . . . . 0.0 110.416 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.444 ' C ' ' CG ' ' A' ' 22' ' ' ARG . 4.2 t -127.8 140.49 52.01 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.502 1.126 . . . . 0.0 108.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.444 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 0.7 OUTLIER -156.83 118.09 3.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.407 ' O ' ' CB ' ' A' ' 5' ' ' PHE . 82.7 t80 -115.8 115.89 27.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 111.045 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.92 HD23 ' HB2' ' A' ' 27' ' ' GLU . 1.3 tp -74.75 101.12 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.828 HG12 ' HA ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -57.21 -83.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.348 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.742 ' H ' HG13 ' A' ' 25' ' ' VAL . 13.2 mt-30 -34.82 -35.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.92 ' HB2' HD23 ' A' ' 24' ' ' LEU . 2.3 mt-10 -115.66 52.83 0.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.63 ' C ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -18.35 95.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' GLU . 14.5 mttm -154.21 97.71 2.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.427 ' HG3' ' CD2' ' A' ' 12' ' ' HIS . 18.3 Cg_endo -75.05 119.9 5.83 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.503 1.791 . . . . 0.0 110.942 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -155.66 117.86 4.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 1.133 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -109.61 128.41 55.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 108.349 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 45.8 t -81.92 164.46 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 109.365 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.464 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 1.5 t -65.33 -155.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 108.236 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.502 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -131.31 -76.33 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.579 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.7 t 159.26 145.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.051 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.53 16.22 43.24 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.426 1.079 . . . . 0.0 111.034 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.765 ' CZ ' ' CD2' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -105.67 -168.56 1.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 0.793 . . . . 0.0 110.981 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.551 ' CG2' ' N ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -160.97 173.59 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.26 160.39 14.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.56 -39.54 73.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.584 HH12 ' HA ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -123.71 16.48 9.49 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 5.8 m 87.08 35.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 108.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.598 ' HA ' ' CG ' ' A' ' 17' ' ' PHE . 30.5 mm-40 -74.82 -38.62 62.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.445 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 1.1 m80 -88.92 161.81 16.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.578 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 47' ' ' ASP . . . -126.79 105.16 8.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.551 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.541 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.383 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.568 ' CG ' ' O ' ' A' ' 5' ' ' PHE . 77.2 t80 36.87 39.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.422 ' C ' ' N ' ' A' ' 8' ' ' CYS . 3.2 t-20 -159.05 166.01 32.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 48.1 23.31 0.5 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.409 1.068 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 1.329 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -51.21 177.35 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 108.296 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 8' ' ' CYS . 18.3 Cg_endo -75.03 -168.4 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.591 ' O ' ' CB ' ' A' ' 11' ' ' SER . 30.2 t0 -107.01 65.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.591 ' CB ' ' O ' ' A' ' 10' ' ' ASP . 2.3 t 92.29 -39.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -42.11 -27.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.608 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.621 HG21 ' HB2' ' A' ' 21' ' ' CYS . 0.2 OUTLIER -46.79 -84.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.677 ' C ' ' CG ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -107.51 3.64 25.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 0.0 110.275 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.677 ' CG ' ' C ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER 68.73 114.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 1.066 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -146.92 170.19 17.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.334 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.557 ' CG ' ' HB2' ' A' ' 44' ' ' GLU . 4.1 m-85 -109.47 -23.11 11.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.578 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 3.2 t-160 -176.08 80.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 109.639 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.423 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -158.6 167.23 34.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.521 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -74.89 124.86 27.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 0.778 . . . . 0.0 110.369 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 1.329 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -81.93 144.11 31.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 108.301 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.428 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -162.62 110.24 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.438 ' O ' ' N ' ' A' ' 25' ' ' VAL . 0.3 OUTLIER -104.56 104.44 14.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 111.064 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.552 HD12 ' HB2' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -67.95 68.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.541 ' CG1' ' HA ' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -41.55 -42.6 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.552 ' HB2' HD12 ' A' ' 24' ' ' LEU . 5.2 mt-30 -43.33 -43.59 5.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 28' ' ' ASP . 8.0 mt-10 -118.67 14.26 13.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' LEU . 9.4 t70 37.77 67.66 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.598 1.186 . . . . 0.0 109.363 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -135.61 119.15 12.8 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.448 ' HB2' ' CA ' ' A' ' 14' ' ' GLN . 18.3 Cg_endo -75.02 131.17 13.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 0.0 111.061 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -163.12 132.05 4.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.228 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 1.066 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 24.5 p -133.18 131.6 40.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.307 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 20' ' ' THR . 5.3 t -80.54 157.52 4.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -60.16 -169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 108.36 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -148.69 -86.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.567 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -70.92 61.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.083 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 36' ' ' SER . . . 34.55 41.01 0.21 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 18' ' ' HIS . 51.1 m-85 -72.0 -159.8 0.05 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 0.769 . . . . 0.0 110.98 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 40' ' ' GLY . 11.2 t -73.12 -124.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.374 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.464 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -148.59 -52.21 0.02 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' GLY . . . -38.19 -89.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 0.786 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -96.22 -11.71 25.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.1 m 61.03 31.24 19.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 108.281 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.557 ' HB2' ' CG ' ' A' ' 17' ' ' PHE . 16.6 pt-20 -92.58 -33.1 14.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.46 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -92.71 162.34 14.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.571 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.01 105.34 16.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.638 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -118.53 92.18 3.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 111.019 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 7' ' ' ASP . 0.3 OUTLIER -100.56 -77.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 8' ' ' CYS . 2.1 m-20 -50.67 -179.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.571 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER 158.44 -49.75 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 108.26 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 8' ' ' CYS . 18.4 Cg_endo -74.95 123.39 7.87 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 111.048 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.414 ' O ' ' CB ' ' A' ' 11' ' ' SER . 5.2 m-20 -107.97 44.78 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.605 1.191 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.438 ' C ' ' CG ' ' A' ' 12' ' ' HIS . 2.3 p 80.34 25.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 110.034 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.438 ' CG ' ' C ' ' A' ' 11' ' ' SER . 0.0 OUTLIER 52.44 95.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.693 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.514 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 11.6 p -106.05 -63.36 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.403 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.514 ' CG ' ' O ' ' A' ' 13' ' ' THR . 5.4 mt-30 -170.61 37.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.32 -36.39 3.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -161.36 133.4 5.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 108.32 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.522 ' CB ' ' HA ' ' A' ' 44' ' ' GLU . 0.1 OUTLIER -122.03 -18.32 6.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.636 ' CD2' ' O ' ' A' ' 18' ' ' HIS . 33.7 p-80 -158.77 65.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.576 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -162.53 179.52 37.78 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.479 1.112 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -76.08 154.38 35.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 110.396 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -120.53 140.38 51.55 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.599 1.187 . . . . 0.0 108.329 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.48 ' HD2' HG23 ' A' ' 33' ' ' VAL . 1.4 mtt-85 -155.1 109.35 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 5' ' ' PHE . 0.6 OUTLIER -111.31 107.81 17.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 28' ' ' ASP . 1.7 tp -75.1 70.39 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -43.55 -46.3 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.192 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.446 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -45.73 -33.07 2.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.43 1.081 . . . . 0.0 110.243 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 28' ' ' ASP . 0.3 OUTLIER -124.88 17.81 8.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.27 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' GLU . 76.6 m-20 35.69 53.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -114.75 93.16 32.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 120.72 6.2 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.526 1.803 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -158.3 125.03 4.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -112.18 129.15 56.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 108.259 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.48 HG23 ' HD2' ' A' ' 22' ' ' ARG . 51.1 t -81.38 149.21 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.226 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.423 ' SG ' ' OH ' ' A' ' 38' ' ' TYR . 98.2 m -66.51 -170.22 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 108.275 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.569 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -126.17 -85.16 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.56 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.7 p 153.57 161.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 110.029 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.81 27.9 61.93 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.538 1.149 . . . . 0.0 111.039 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.604 ' CE2' ' O ' ' A' ' 39' ' ' VAL . 38.8 p90 -137.12 -156.75 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.771 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.604 ' O ' ' CE2' ' A' ' 38' ' ' TYR . 2.1 t -92.33 -142.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.343 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.725 ' O ' ' HB2' ' A' ' 41' ' ' ALA . . . -146.87 137.46 6.72 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 40' ' ' GLY . . . 159.6 -80.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.406 ' C ' ' SG ' ' A' ' 43' ' ' CYS . 3.8 mpp_? -133.32 6.13 3.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.607 ' C ' ' CE1' ' A' ' 18' ' ' HIS . 0.3 OUTLIER 72.06 43.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 108.317 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.522 ' HA ' ' CB ' ' A' ' 17' ' ' PHE . 9.3 tt0 -115.76 -28.95 6.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.608 1.192 . . . . 0.0 110.303 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.489 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 3.2 m170 -109.48 144.66 37.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.57 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' A' ' 38' ' ' TYR . . . -141.46 123.7 15.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 t70 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.923 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.433 ' HB3' ' CG ' ' A' ' 26' ' ' GLN . 2.6 t-160 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -117.4 163.87 15.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 7' ' ' ASP . 63.2 t30 -140.91 -65.1 0.45 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.6 ' OD2' ' CD2' ' A' ' 23' ' ' PHE . 5.9 m-20 -59.86 -153.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.486 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER 170.01 -54.33 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 108.309 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.52 ' HA ' ' CE2' ' A' ' 15' ' ' PHE . 18.5 Cg_endo -74.92 127.8 11.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.577 1.83 . . . . 0.0 111.025 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.411 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.2 OUTLIER -127.83 24.35 6.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 109.353 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 p 64.72 65.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 59.81 95.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.593 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 14' ' ' GLN . 0.5 OUTLIER 178.95 133.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 13' ' ' THR . 40.6 mt-30 36.45 41.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.52 ' CE2' ' HA ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -101.78 -162.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 111.039 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -155.19 143.75 20.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.405 1.066 . . . . 0.0 108.338 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -28.32 69.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.797 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -169.2 71.78 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.616 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 33' ' ' VAL . . . -132.15 -142.76 5.0 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.068 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.822 HG23 ' NE2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -124.3 99.09 6.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 0.745 . . . . 0.0 110.448 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.434 ' C ' ' CG ' ' A' ' 22' ' ' ARG . 17.4 p -73.23 136.85 44.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 108.308 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.434 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 2.1 mtt-85 -155.53 111.09 3.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.617 ' CE2' ' HA ' ' A' ' 28' ' ' ASP . 71.1 t80 -92.04 111.15 22.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.71 HD12 ' HB2' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -67.42 72.48 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -39.99 -40.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.71 ' HB2' HD12 ' A' ' 24' ' ' LEU . 17.0 mt-30 -43.82 -44.77 7.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.34 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.9 mp0 -118.04 8.34 12.45 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.456 1.097 . . . . 0.0 110.366 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.617 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 0.0 OUTLIER 44.18 72.27 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.079 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.471 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 2.6 mtpp -145.34 129.18 8.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 119.08 5.5 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.538 1.809 . . . . 0.0 111.042 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.94 112.38 5.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -101.03 -173.81 2.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 108.314 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 20' ' ' THR . 42.5 t -150.55 151.23 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.472 ' SG ' ' CD2' ' A' ' 38' ' ' TYR . 1.3 m -62.98 169.47 3.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 108.264 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.822 ' NE2' HG23 ' A' ' 20' ' ' THR . 0.0 OUTLIER -119.49 -40.75 2.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.647 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.9 p 159.49 144.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.392 1.057 . . . . 0.0 109.968 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.13 56.21 19.47 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.663 ' OH ' ' CD2' ' A' ' 18' ' ' HIS . 4.0 m-85 -131.97 -176.73 4.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 0.784 . . . . 0.0 111.065 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.577 HG22 ' CA ' ' A' ' 47' ' ' ASP . 86.7 t -94.99 -99.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.361 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.525 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -174.23 44.75 0.14 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.421 1.076 . . . . 0.0 111.063 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -134.71 -107.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 0.724 . . . . 0.0 109.385 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -90.04 -1.33 57.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.617 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 79.2 m 71.18 45.03 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 108.23 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -104.96 -40.16 6.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.494 ' C ' HG23 ' A' ' 39' ' ' VAL . 10.4 m-70 -104.38 160.31 15.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.549 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.565 ' HA ' ' HA ' ' A' ' 38' ' ' TYR . . . -110.77 100.23 9.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.577 ' CA ' HG22 ' A' ' 39' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.582 ' CG ' ' HB3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.65 ' CZ ' HD21 ' A' ' 24' ' ' LEU . 1.6 m-85 -133.83 97.72 3.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.716 HD22 ' HB ' ' A' ' 25' ' ' VAL . 0.7 OUTLIER -111.58 -151.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.517 ' HB2' ' CB ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER 36.29 -150.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.558 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER 166.91 -50.42 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 108.277 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 8' ' ' CYS . 18.3 Cg_endo -74.97 119.94 5.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.03 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.456 ' OD2' ' CA ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -104.78 -8.2 18.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 12' ' ' HIS . 0.4 OUTLIER 38.17 77.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.979 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.631 ' O ' HG22 ' A' ' 13' ' ' THR . 2.8 t-160 89.63 168.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.615 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER 88.32 -37.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 110.393 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 13' ' ' THR . 2.0 mt-30 -175.72 -96.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.478 ' CE1' ' O ' ' A' ' 8' ' ' CYS . 3.0 t80 45.71 -173.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 1.203 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -124.82 -175.57 3.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.258 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.598 ' CZ ' ' OE2' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -112.84 -41.91 3.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.71 ' CD2' ' CZ ' ' A' ' 38' ' ' TYR . 30.5 p-80 -151.02 62.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.566 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.416 ' HA2' ' CG ' ' A' ' 35' ' ' HIS . . . -150.44 -166.26 13.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 33' ' ' VAL . 0.8 OUTLIER -75.11 154.75 37.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 0.779 . . . . 0.0 110.318 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 5.5 p -139.44 137.71 35.85 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.52 1.138 . . . . 0.0 108.267 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.446 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 4.5 mtt-85 -157.17 101.45 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.517 ' CB ' ' HB2' ' A' ' 7' ' ' ASP . 1.6 t80 -80.12 117.16 20.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.65 HD21 ' CZ ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -73.83 86.29 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.716 ' HB ' HD22 ' A' ' 6' ' ' ASN . 0.3 OUTLIER -56.51 -48.94 79.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.582 ' HB3' ' CG ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -49.82 -34.03 18.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.517 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 2.7 mm-40 -109.09 10.78 25.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 110.357 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 24' ' ' LEU . 5.7 m-20 35.87 45.61 0.29 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 3.4 mmmt -135.75 129.19 18.23 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.401 1.063 . . . . 0.0 109.386 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 119.2 5.55 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.514 1.797 . . . . 0.0 111.035 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -130.29 95.94 4.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 1.203 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -97.36 147.61 24.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.279 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' THR . 68.1 t -108.93 157.73 9.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.99 176.31 8.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 108.256 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.417 ' HB3' ' OH ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -103.7 -3.11 25.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.624 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t 74.96 133.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.969 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.92 14.76 30.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.71 ' CZ ' ' CD2' ' A' ' 18' ' ' HIS . 11.0 m-30 -110.77 -163.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 0.797 . . . . 0.0 111.078 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.662 HG12 ' N ' ' A' ' 40' ' ' GLY . 50.7 t -78.52 -97.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.662 ' N ' HG12 ' A' ' 39' ' ' VAL . . . 170.49 40.73 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.09 -84.02 0.56 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.74 . . . . 0.0 109.389 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -127.85 2.32 6.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 8.8 m 82.65 69.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.289 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.598 ' OE2' ' CZ ' ' A' ' 17' ' ' PHE . 4.9 tt0 -144.32 -42.9 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.266 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.16 157.66 18.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.569 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.43 110.56 14.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 t0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.942 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.547 ' CD1' ' HB2' ' A' ' 22' ' ' ARG . 12.2 p90 -106.88 151.19 25.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.461 HD22 ' C ' ' A' ' 5' ' ' PHE . 1.4 m-80 -138.75 -90.86 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.411 ' O ' ' CB ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -88.03 147.66 24.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.2 p -130.94 141.61 42.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 108.297 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.571 ' HD3' ' CD2' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.02 -97.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.45 1.763 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.541 ' HA ' ' CD1' ' A' ' 15' ' ' PHE . 1.5 p30 156.57 46.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -52.04 -173.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.943 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -91.12 30.52 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.621 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.538 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 1.5 t -86.39 18.21 3.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER 89.12 -22.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.558 ' CE1' ' SG ' ' A' ' 21' ' ' CYS . 1.6 t80 31.48 -145.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 110.968 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 1.288 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -150.01 154.35 38.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 108.316 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.573 ' CG ' ' HB3' ' A' ' 44' ' ' GLU . 8.7 m-85 -94.56 -32.25 13.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.963 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 3.5 t-160 -163.5 69.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.59 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.99 -175.64 15.56 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -77.15 106.62 8.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.745 . . . . 0.0 110.417 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.558 ' SG ' ' CE1' ' A' ' 15' ' ' PHE . 4.1 t -92.77 142.18 27.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 108.249 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.547 ' HB2' ' CD1' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -157.72 108.73 2.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 0.0 110.341 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.571 ' CD2' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -87.68 107.88 18.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.997 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 28' ' ' ASP . 1.4 mt -72.87 75.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.485 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -46.82 -49.15 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.485 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -54.47 -26.71 32.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 28' ' ' ASP . 3.0 tp10 -108.2 2.79 23.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.591 1.182 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER 37.12 60.7 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.26 123.94 1.99 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 124.73 8.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.46 ' O ' ' CG ' ' A' ' 22' ' ' ARG . . . -146.38 122.46 10.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.172 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 1.288 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 31.0 p -116.25 -170.6 1.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 108.314 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 20' ' ' THR . 53.6 t -152.34 149.17 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 39' ' ' VAL . 12.5 t -52.94 167.91 0.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 108.257 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -107.86 150.81 26.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.524 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.41 132.73 49.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.602 1.189 . . . . 0.0 109.965 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.37 56.35 14.05 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.562 1.164 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.614 ' CD2' ' O ' ' A' ' 45' ' ' HIS . 0.1 OUTLIER -144.11 -160.58 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 111.004 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.459 HG13 ' O ' ' A' ' 45' ' ' HIS . 13.6 m -98.95 -157.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -120.06 -148.65 8.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.121 . . . . 0.0 110.956 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 57.81 -91.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.4 HH21 ' HB2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -111.94 -12.6 13.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.348 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.1 m 68.17 49.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 108.367 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.573 ' HB3' ' CG ' ' A' ' 17' ' ' PHE . 2.7 pm0 -93.16 -25.1 18.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.572 1.17 . . . . 0.0 110.272 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.614 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 3.0 m170 -107.2 160.36 15.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.646 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.41 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . . . -111.35 103.88 12.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.403 ' OD2' ' O ' ' A' ' 38' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.822 ' HB2' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -103.62 165.46 11.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.605 ' O ' ' CZ ' ' A' ' 5' ' ' PHE . 2.6 m-80 -140.7 -88.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.58 164.52 19.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -111.38 103.41 54.97 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 108.264 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 10' ' ' ASP . 18.2 Cg_endo -75.08 -172.98 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -39.39 -44.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.435 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 20.0 t -38.87 158.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.612 ' CD2' ' SG ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER 82.71 -48.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.581 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.577 ' N ' ' CD2' ' A' ' 12' ' ' HIS . 73.0 p 48.8 -89.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.357 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 12' ' ' HIS . 2.4 mp0 -93.79 -104.34 0.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.476 ' CB ' ' O ' ' A' ' 14' ' ' GLN . 0.4 OUTLIER 73.82 -3.01 2.61 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.524 1.14 . . . . 0.0 110.956 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -165.01 143.24 6.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 108.277 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.622 ' CD2' ' O ' ' A' ' 44' ' ' GLU . 1.3 m-85 -69.41 -30.04 67.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.792 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -177.52 80.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.598 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -146.89 -172.09 16.81 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.55 168.95 19.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 110.418 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.612 ' SG ' ' CD2' ' A' ' 12' ' ' HIS . 44.3 t -126.18 148.74 49.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 108.279 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.11 137.92 14.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.255 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -129.25 109.23 10.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.822 HD12 ' HB2' ' A' ' 5' ' ' PHE . 2.0 tp -77.17 81.82 3.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.427 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -42.74 -45.01 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.51 ' OE1' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -50.0 -40.5 44.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' ASP . 10.0 mt-10 -100.62 4.35 43.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 27' ' ' GLU . 46.7 t0 36.63 48.64 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 5.4 pttp -140.05 139.08 20.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 29' ' ' LYS . 18.4 Cg_endo -74.92 148.84 36.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.561 1.822 . . . . 0.0 111.074 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.45 109.38 1.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.602 1.189 . . . . 0.0 109.23 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -96.8 167.19 11.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 108.303 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.6 t -131.9 156.54 42.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 m -64.85 -177.53 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 108.323 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -125.12 12.41 8.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.566 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 p 79.14 143.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.9 29.95 62.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.638 ' OH ' ' CD2' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -105.35 -175.83 2.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 0.746 . . . . 0.0 111.063 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.527 HG12 ' H ' ' A' ' 40' ' ' GLY . 1.9 t -153.71 -142.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.527 ' H ' HG12 ' A' ' 39' ' ' VAL . . . 38.25 -129.02 1.69 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 42' ' ' ARG . . . -147.23 146.25 29.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER 75.97 -1.15 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.622 ' HB3' ' CD2' ' A' ' 38' ' ' TYR . 9.6 m 81.25 18.41 0.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 108.269 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.622 ' O ' ' CD2' ' A' ' 17' ' ' PHE . 34.1 mt-10 -68.31 -52.3 35.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.488 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 5.1 m170 -88.05 169.55 11.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.53 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.604 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -151.89 147.14 26.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.511 ' N ' HG23 ' A' ' 39' ' ' VAL . 2.1 p-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.407 1.067 . . . . 0.0 109.351 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.579 ' N ' HG12 ' A' ' 25' ' ' VAL . 2.2 p-80 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -86.47 140.51 29.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.839 HD22 ' H ' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -153.37 -94.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.839 ' H ' HD22 ' A' ' 6' ' ' ASN . 17.7 m-20 -86.0 1.05 51.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.646 ' O ' HG22 ' A' ' 13' ' ' THR . 21.2 p 42.71 52.7 8.01 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 108.274 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.646 ' HD3' ' N ' ' A' ' 8' ' ' CYS . 18.4 Cg_endo -74.98 138.0 22.51 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.459 1.768 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.565 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 1.3 p30 150.11 31.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 10' ' ' ASP . 4.9 t 60.52 138.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.562 ' HB3' ' CD1' ' A' ' 15' ' ' PHE . 25.2 m80 73.77 8.75 4.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.613 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.646 HG22 ' O ' ' A' ' 8' ' ' CYS . 72.5 p -34.82 -71.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.478 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 32' ' ' CYS . 35.9 mt-30 -44.95 -70.6 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 110.387 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 12' ' ' HIS . 0.0 OUTLIER 67.04 10.15 7.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 1.172 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -146.44 121.11 9.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 108.26 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -72.91 -1.87 18.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.645 ' CG ' ' CZ ' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -169.8 67.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.571 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.467 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -171.39 179.17 43.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -89.5 172.04 9.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 110.371 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 15.2 t -126.28 146.89 49.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 108.314 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 31' ' ' ALA . 11.0 ttt180 -153.06 123.34 7.09 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.63 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 43.2 t80 -140.52 109.79 6.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' ASP . 9.8 tp -76.25 79.89 3.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.614 HG23 ' HE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -41.68 -40.57 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.34 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.406 ' CG ' ' HA ' ' A' ' 4' ' ' HIS . 6.5 mt-30 -44.77 -44.79 9.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 28' ' ' ASP . 2.1 mm-40 -119.78 17.1 12.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 110.285 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.63 ' HA ' ' CZ ' ' A' ' 23' ' ' PHE . 71.4 m-20 38.2 66.79 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.5 mtmm -118.17 95.63 48.65 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.578 1.173 . . . . 0.0 109.307 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 123.19 7.74 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.542 1.812 . . . . 0.0 111.056 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 22' ' ' ARG . . . -162.38 112.75 1.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 1.172 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -98.16 149.6 22.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 108.319 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.532 HG12 ' N ' ' A' ' 34' ' ' CYS . 69.6 t -108.1 167.03 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 109.298 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.532 ' N ' HG12 ' A' ' 33' ' ' VAL . 4.1 t -77.79 174.85 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 108.342 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.538 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -109.51 -77.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.069 . . . . 0.0 109.624 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.7 p 156.76 148.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.988 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.495 ' C ' ' CD1' ' A' ' 38' ' ' TYR . . . 92.26 17.02 48.22 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.127 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.645 ' CZ ' ' CG ' ' A' ' 18' ' ' HIS . 1.2 m-85 -137.96 -158.91 0.9 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.519 0.776 . . . . 0.0 111.048 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.485 ' O ' ' C ' ' A' ' 40' ' ' GLY . 2.8 t -153.28 -46.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.485 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -30.65 140.3 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.105 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.63 -53.66 29.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.584 0.814 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.458 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -79.28 -14.46 59.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 7.2 m 84.46 56.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 108.376 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -114.17 -32.62 5.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 110.353 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -100.67 148.58 24.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.606 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.35 89.68 4.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.462 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 3.4 t70 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.573 ' CD2' ' HB3' ' A' ' 5' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.58 ' HZ ' HH11 ' A' ' 22' ' ' ARG . 1.8 t80 42.33 87.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.412 ' H ' ' ND2' ' A' ' 6' ' ' ASN . 0.2 OUTLIER -96.21 -152.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 8' ' ' CYS . 1.2 m-20 -76.89 -0.6 24.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 7' ' ' ASP . 1.7 t 57.78 106.72 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.341 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 10' ' ' ASP . 18.3 Cg_endo -75.01 179.03 6.49 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.445 1.761 . . . . 0.0 110.976 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.497 ' O ' ' C ' ' A' ' 11' ' ' SER . 3.4 m-20 -39.17 -66.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.497 ' C ' ' O ' ' A' ' 10' ' ' ASP . 94.5 p 31.65 -96.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 0.0 110.039 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.68 ' CE1' ' CE2' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -76.99 89.88 3.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 109.544 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.444 ' C ' ' N ' ' A' ' 15' ' ' PHE . 1.2 p -88.06 -166.96 1.73 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.78 ' HB3' HH22 ' A' ' 42' ' ' ARG . 2.1 mt-30 40.3 27.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 0.0 110.319 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.444 ' N ' ' C ' ' A' ' 13' ' ' THR . 1.2 t80 -111.73 -17.42 12.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 1.281 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -162.25 107.65 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 108.357 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.478 ' CD2' ' HG3' ' A' ' 44' ' ' GLU . 0.1 OUTLIER -73.98 -15.54 61.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.469 ' CE1' ' OH ' ' A' ' 38' ' ' TYR . 4.5 t-160 -168.43 71.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.579 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.508 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -156.91 178.6 33.24 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.472 ' CB ' ' HB ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -82.86 171.47 13.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 0.784 . . . . 0.0 110.391 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 3.6 t -129.73 141.43 50.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.102 . . . . 0.0 108.279 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.58 HH11 ' HZ ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -149.32 109.11 4.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.68 ' CE2' ' CE1' ' A' ' 12' ' ' HIS . 0.8 OUTLIER -114.13 103.54 11.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 25' ' ' VAL . 1.7 tp -68.85 67.78 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -40.17 -40.83 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.37 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.548 ' HG3' ' CD2' ' A' ' 4' ' ' HIS . 1.5 mt-30 -44.92 -42.15 7.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -119.66 17.23 12.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 27' ' ' GLU . 10.3 t70 37.69 63.36 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.252 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -127.05 114.8 21.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.573 ' HB3' ' CE1' ' A' ' 12' ' ' HIS . 18.3 Cg_endo -75.01 129.29 12.19 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.548 1.815 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.88 98.29 1.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 1.281 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.6 OUTLIER -96.71 145.83 25.43 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 108.242 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.737 HG12 ' H ' ' A' ' 35' ' ' HIS . 16.2 t -79.43 136.03 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -81.25 3.61 23.34 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.444 1.09 . . . . 0.0 108.277 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.737 ' H ' HG12 ' A' ' 33' ' ' VAL . 0.1 OUTLIER 63.2 65.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.582 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 35' ' ' HIS . 0.6 OUTLIER -32.8 123.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.96 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.81 -8.47 5.5 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.078 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.494 ' O ' HG23 ' A' ' 39' ' ' VAL . 4.4 m-85 -101.68 -170.17 1.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 0.746 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.602 HG21 ' HB2' ' A' ' 47' ' ' ASP . 45.6 t -155.28 -38.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.5 ' O ' ' C ' ' A' ' 41' ' ' ALA . . . -30.49 150.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.5 ' C ' ' O ' ' A' ' 40' ' ' GLY . . . -32.83 -78.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 0.728 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.78 HH22 ' HB3' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -66.16 -62.48 1.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 1.0 OUTLIER 156.85 52.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 108.256 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.478 ' HG3' ' CD2' ' A' ' 17' ' ' PHE . 0.6 OUTLIER -111.79 -40.37 4.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.252 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -80.58 164.17 23.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 109.602 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 38' ' ' TYR . . . -139.82 119.57 13.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.602 ' HB2' HG21 ' A' ' 39' ' ' VAL . 16.0 t0 . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.422 1.076 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.583 ' O ' ' CD2' ' A' ' 5' ' ' PHE . 1.5 t60 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.922 ' CE2' HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER 160.81 106.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 5' ' ' PHE . 25.5 m120 -159.52 -111.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.0 106.09 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.596 1.185 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.579 ' HA ' ' HB3' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -86.28 -55.08 0.39 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 108.247 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 8' ' ' CYS . 18.2 Cg_endo -75.0 104.6 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.466 1.771 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.585 ' O ' ' CB ' ' A' ' 11' ' ' SER . 3.5 m-20 -162.04 22.71 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.585 ' CB ' ' O ' ' A' ' 10' ' ' ASP . 1.6 m 151.17 98.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.585 ' CG ' ' O ' ' A' ' 11' ' ' SER . 5.3 m170 92.21 9.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 109.638 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.423 ' C ' ' H ' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -41.53 -24.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 110.485 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.474 ' N ' ' C ' ' A' ' 12' ' ' HIS . 1.6 mt-30 -81.95 27.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.245 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -89.87 10.73 22.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.963 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 1.106 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -153.81 114.84 4.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 108.283 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.605 ' CE2' ' CD ' ' A' ' 44' ' ' GLU . 62.0 m-85 -52.07 -47.67 65.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -167.27 79.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.553 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.474 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -142.58 -177.06 17.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' ' CB ' ' A' ' 32' ' ' CYS . 1.9 m -78.53 152.41 31.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 0.729 . . . . 0.0 110.383 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -101.14 135.64 42.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.401 1.063 . . . . 0.0 108.321 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -154.74 93.31 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.236 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.635 ' HE2' HG23 ' A' ' 25' ' ' VAL . 3.4 t80 -132.11 118.79 20.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.061 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.922 HD22 ' CE2' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -83.97 104.29 13.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.362 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.635 HG23 ' HE2' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -49.87 -54.11 8.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.179 . . . . 0.0 109.344 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.554 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 9.8 mm-40 -57.89 -17.78 18.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.073 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.567 ' O ' ' C ' ' A' ' 28' ' ' ASP . 2.8 tp10 -114.86 4.72 14.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' A' ' 24' ' ' LEU . 1.3 p30 26.69 47.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -119.95 100.8 48.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.602 1.189 . . . . 0.0 109.252 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.468 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.1 132.71 15.59 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -162.37 118.15 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 1.106 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.6 OUTLIER -115.9 122.44 45.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.107 . . . . 0.0 108.34 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.677 HG13 ' N ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER -82.0 177.16 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.677 ' N ' HG13 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -64.06 -167.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 108.363 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.474 ' HB2' ' HA2' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -137.23 32.77 2.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.659 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.21 89.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.07 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.614 ' C ' ' CD1' ' A' ' 38' ' ' TYR . . . 147.34 40.85 0.04 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.614 ' CD1' ' C ' ' A' ' 37' ' ' GLY . 83.1 m-85 -158.86 -171.54 3.45 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.58 0.812 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.656 HG12 ' N ' ' A' ' 40' ' ' GLY . 73.6 t -86.78 -103.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.656 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -140.34 -173.7 13.5 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 80.45 -133.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 0.732 . . . . 0.0 109.337 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.37 12.71 7.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 75.79 38.16 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 108.277 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.605 ' CD ' ' CE2' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -89.13 -39.22 13.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.401 ' HB3' HG21 ' A' ' 39' ' ' VAL . 3.0 m170 -81.59 161.62 23.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.591 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.23 113.25 9.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.467 ' N ' HG23 ' A' ' 39' ' ' VAL . 37.0 t0 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.127 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.54 ' O ' ' CD2' ' A' ' 5' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.659 ' CE1' ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER 177.63 161.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 111.035 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.588 HD22 ' HB ' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -145.97 -174.2 4.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.52 159.52 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 0.0 109.29 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.415 ' SG ' ' C ' ' A' ' 21' ' ' CYS . 7.8 p -122.46 98.78 43.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 0.0 108.308 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 178.9 6.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.53 1.805 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -91.26 -63.34 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 13' ' ' THR . 60.1 p 35.98 35.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.027 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.595 ' O ' HG22 ' A' ' 13' ' ' THR . 34.3 m170 48.98 -93.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.573 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 12' ' ' HIS . 6.8 t 47.52 21.27 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.417 ' C ' HH11 ' A' ' 42' ' ' ARG . 14.0 mt-30 66.28 55.95 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.345 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -83.55 -155.21 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.176 . . . . 0.0 110.994 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.447 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -110.24 125.27 52.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 0.0 108.32 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.591 ' CD1' ' CD ' ' A' ' 44' ' ' GLU . 0.4 OUTLIER -60.36 -24.13 64.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 111.031 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.596 ' CD2' ' OH ' ' A' ' 38' ' ' TYR . 1.7 t-160 -164.65 72.46 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.589 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.467 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -153.24 -170.6 19.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.421 1.075 . . . . 0.0 111.06 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.488 HG23 ' NE2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -78.27 158.87 28.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 110.391 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.491 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 24.2 p -138.3 145.73 41.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 108.292 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -156.27 120.07 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.541 ' C ' ' CE1' ' A' ' 5' ' ' PHE . 6.5 t80 -109.48 101.25 10.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.172 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.659 ' N ' ' CE1' ' A' ' 5' ' ' PHE . 0.4 OUTLIER -66.61 78.66 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.369 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.588 ' HB ' HD22 ' A' ' 6' ' ' ASN . 0.3 OUTLIER -39.81 -48.12 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.467 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 27.0 mt-30 -37.19 -45.85 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.318 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.556 ' O ' ' C ' ' A' ' 28' ' ' ASP . 5.3 mt-10 -122.76 24.88 8.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.556 ' C ' ' O ' ' A' ' 27' ' ' GLU . 15.6 p-10 27.62 46.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -102.78 107.29 54.0 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.66 6.16 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.583 1.833 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' A' ' 22' ' ' ARG . . . -148.1 117.31 6.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -106.09 176.19 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 108.249 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 34' ' ' CYS . 42.5 t -140.3 154.09 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.456 ' O ' HG12 ' A' ' 33' ' ' VAL . 19.6 t -73.51 166.97 22.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.441 1.088 . . . . 0.0 108.312 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.488 ' NE2' HG23 ' A' ' 20' ' ' THR . 0.0 OUTLIER -118.3 97.43 5.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.664 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 35' ' ' HIS . 1.3 t -35.73 124.53 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.056 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.06 0.39 6.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.596 ' OH ' ' CD2' ' A' ' 18' ' ' HIS . 36.4 m-85 -114.43 -168.12 1.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.556 ' CG2' ' N ' ' A' ' 47' ' ' ASP . 2.0 t -131.71 -72.12 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -32.8 148.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.471 1.107 . . . . 0.0 111.08 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.93 -62.86 1.36 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 0.786 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.514 ' CG ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -61.65 -18.76 60.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.403 1.065 . . . . 0.0 110.312 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 3.8 m 87.93 43.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.483 1.114 . . . . 0.0 108.291 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.591 ' CD ' ' CD1' ' A' ' 17' ' ' PHE . 3.6 tp10 -87.8 -36.56 17.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.392 1.058 . . . . 0.0 110.338 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -93.81 158.32 15.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.61 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 47' ' ' ASP . . . -123.45 109.42 13.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.556 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 5.6 t70 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.613 ' CD2' ' OD1' ' A' ' 6' ' ' ASN . 6.3 t60 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.58 ' CE1' ' HA ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER 61.0 133.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.613 ' OD1' ' CD2' ' A' ' 4' ' ' HIS . 35.5 m120 -148.57 139.75 23.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 0.1 OUTLIER 44.33 -167.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.355 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -175.08 138.96 0.6 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 108.24 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.469 ' HG2' ' CB ' ' A' ' 13' ' ' THR . 18.2 Cg_endo -75.0 -173.66 1.65 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.517 1.798 . . . . 0.0 110.962 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' HIS . 25.2 t0 -135.41 -48.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 12' ' ' HIS . 12.4 t -62.09 79.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.57 1.169 . . . . 0.0 109.957 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.718 ' C ' HG22 ' A' ' 13' ' ' THR . 12.2 m-70 61.47 129.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.578 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.718 HG22 ' C ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER 166.58 -72.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.431 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.636 ' H ' HG23 ' A' ' 13' ' ' THR . 3.7 pm0 -100.1 -16.38 17.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.61 ' CD2' ' O ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER 42.73 100.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.976 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 1.273 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -163.71 128.76 2.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.175 . . . . 0.0 108.336 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.469 ' CB ' ' HA ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -91.76 -10.77 38.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.614 ' CD2' ' O ' ' A' ' 43' ' ' CYS . 0.8 OUTLIER -170.62 82.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.538 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.92 162.65 36.43 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.437 1.085 . . . . 0.0 110.978 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.505 ' CB ' HH21 ' A' ' 22' ' ' ARG . 0.1 OUTLIER -75.79 120.61 21.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 0.758 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.453 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 22.6 p -80.82 135.64 35.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 108.29 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.636 ' HD2' HG23 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -150.89 100.63 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 28' ' ' ASP . 71.9 t80 -99.79 107.03 18.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -68.9 77.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -42.77 -40.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.404 1.065 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.46 ' CG ' ' HB3' ' A' ' 4' ' ' HIS . 2.7 mm-40 -50.4 -40.3 49.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 24' ' ' LEU . 3.8 mm-40 -112.8 9.72 19.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER 37.19 45.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.51 ' O ' HD12 ' A' ' 24' ' ' LEU . 4.2 mtmt -121.11 130.62 24.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 29' ' ' LYS . 18.0 Cg_endo -75.03 134.6 17.96 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.52 1.8 . . . . 0.0 110.973 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -160.46 101.97 1.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 1.273 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 32.0 p -110.21 125.51 53.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 108.269 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.636 HG23 ' HD2' ' A' ' 22' ' ' ARG . 55.8 t -78.81 109.75 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 33' ' ' VAL . 1.3 m -40.06 157.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.129 . . . . 0.0 108.25 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.529 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -103.42 97.9 7.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.606 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 35' ' ' HIS . 7.0 p -37.59 153.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.985 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.86 39.3 4.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.531 ' CA ' ' HA ' ' A' ' 46' ' ' ALA . 3.0 p90 -155.48 -146.43 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 0.75 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.613 HG12 ' N ' ' A' ' 40' ' ' GLY . 66.6 t -105.38 -111.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.613 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -166.44 -136.17 1.98 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.6 1.188 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 74.96 -84.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 0.76 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -138.95 14.02 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.614 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.1 OUTLIER 75.42 47.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 108.237 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.469 ' HA ' ' CB ' ' A' ' 17' ' ' PHE . 7.4 pt-20 -117.46 -33.02 4.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -103.23 145.05 30.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.57 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.531 ' HA ' ' CA ' ' A' ' 38' ' ' TYR . . . -138.54 118.12 13.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.41 ' N ' HG23 ' A' ' 39' ' ' VAL . 20.9 t70 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.635 ' O ' ' CD1' ' A' ' 5' ' ' PHE . 6.8 t60 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.635 ' CD1' ' O ' ' A' ' 4' ' ' HIS . 29.6 m-85 -156.09 48.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 8' ' ' CYS . 18.2 m-80 -134.03 -104.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.364 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' ASN . 20.6 m-20 39.09 30.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.275 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.512 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -49.2 113.23 2.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 108.267 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 18.3 Cg_endo -74.96 -170.89 0.84 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.548 1.815 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 12' ' ' HIS . 5.0 m-20 77.95 -2.44 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.591 ' C ' ' CG ' ' A' ' 12' ' ' HIS . 11.4 t 36.81 33.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.976 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.591 ' CG ' ' C ' ' A' ' 11' ' ' SER . 0.0 OUTLIER 60.97 115.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.608 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 14' ' ' GLN . 4.4 t -137.56 -50.2 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.433 ' N ' HG23 ' A' ' 13' ' ' THR . 69.5 mt-30 -143.29 60.27 1.4 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -133.98 -79.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 111.064 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -129.66 114.48 16.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 108.309 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -81.11 -11.99 59.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.624 ' CD2' ' O ' ' A' ' 18' ' ' HIS . 33.5 p-80 -155.68 64.46 0.6 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.444 1.09 . . . . 0.0 109.601 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -164.84 175.65 40.76 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -77.81 168.19 20.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.536 0.786 . . . . 0.0 110.391 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -133.93 138.69 45.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 108.324 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 31' ' ' ALA . 11.9 ttt180 -149.32 138.27 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.725 ' HE2' HG23 ' A' ' 25' ' ' VAL . 17.4 t80 -140.45 109.28 6.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 111.048 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.684 HD23 ' CG ' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -66.67 91.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.725 HG23 ' HE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -49.93 -43.27 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.248 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.684 ' CG ' HD23 ' A' ' 24' ' ' LEU . 3.0 pt20 -56.02 -36.99 68.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 28' ' ' ASP . 2.3 mt-10 -101.45 4.04 40.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.62 ' HA ' ' CZ ' ' A' ' 23' ' ' PHE . 19.8 m-20 36.69 40.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.432 ' CE ' ' HB3' ' A' ' 27' ' ' GLU . 12.5 ptpt -123.08 125.48 26.24 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 143.5 29.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.485 1.782 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -162.24 93.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -89.79 140.66 29.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 108.264 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 20' ' ' THR . 97.4 t -103.62 153.64 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.475 ' SG ' ' OH ' ' A' ' 38' ' ' TYR . 1.3 m -77.13 -169.32 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.588 1.18 . . . . 0.0 108.271 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -122.24 -88.44 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.612 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 1.5 m 159.3 160.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.957 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.72 23.95 51.43 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.556 ' CG ' ' NE2' ' A' ' 18' ' ' HIS . 11.2 p90 -135.54 -147.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 111.075 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 45' ' ' HIS . 2.0 m -100.2 -107.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.374 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.526 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -161.84 -140.47 2.88 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.044 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 73.01 -86.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 0.779 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -148.25 21.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.51 ' C ' ' CE1' ' A' ' 18' ' ' HIS . 95.1 m 70.72 39.62 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 108.341 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -84.2 -29.96 26.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.779 ' O ' HG22 ' A' ' 39' ' ' VAL . 2.1 m80 -137.14 164.78 27.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.596 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.466 ' HA ' ' HB2' ' A' ' 38' ' ' TYR . . . -145.29 130.93 18.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.646 ' O ' ' CG ' ' A' ' 5' ' ' PHE . 7.3 t-160 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.646 ' CG ' ' O ' ' A' ' 4' ' ' HIS . 18.4 p90 43.64 -171.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.518 ' O ' ' CB ' ' A' ' 7' ' ' ASP . 0.9 OUTLIER -150.38 19.07 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 1.4 m-20 82.96 151.64 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 1.184 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 14.9 p -139.17 140.39 26.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 108.334 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.439 ' O ' ' OD1' ' A' ' 10' ' ' ASP . 18.3 Cg_endo -75.0 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.555 1.818 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.516 ' CG ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER 61.58 14.63 6.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.507 ' C ' ' O ' ' A' ' 10' ' ' ASP . 80.4 p -30.63 -41.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.5 OUTLIER -132.41 99.52 4.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.607 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 m -157.36 -67.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.403 1.065 . . . . 0.0 110.437 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -161.24 30.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.59 1.181 . . . . 0.0 110.336 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -117.1 -34.83 4.25 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.403 1.064 . . . . 0.0 111.011 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 1.143 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -160.95 129.59 4.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 108.301 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.492 ' O ' ' CB ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -44.24 -26.36 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.563 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 0.7 OUTLIER 162.81 85.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.565 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.462 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -138.0 -168.25 11.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.456 1.098 . . . . 0.0 111.032 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.849 ' HB ' HG12 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -95.11 104.51 16.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 0.794 . . . . 0.0 110.422 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 1.184 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 42.4 t -74.03 140.23 45.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 108.285 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -161.11 121.62 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.629 ' HE2' HG23 ' A' ' 25' ' ' VAL . 4.6 t80 -96.02 113.75 25.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.89 ' CB ' HE21 ' A' ' 26' ' ' GLN . 0.0 OUTLIER -83.22 104.92 13.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.629 HG23 ' HE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -61.05 -38.61 79.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.89 HE21 ' CB ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -34.2 -50.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' CG ' ' HB2' ' A' ' 29' ' ' LYS . 1.2 pm0 -118.49 1.23 11.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 24' ' ' LEU . 10.6 t70 53.14 56.64 7.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 26.9 mttt -126.7 116.04 22.63 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 15' ' ' PHE . 18.2 Cg_endo -75.01 125.08 9.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -156.97 154.19 29.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 1.143 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -107.54 -171.26 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 108.292 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.931 ' O ' HG13 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -147.09 56.24 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.245 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.514 ' O ' ' O ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER 34.85 -154.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 108.366 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.611 ' HE2' HG23 ' A' ' 20' ' ' THR . 0.0 OUTLIER -162.54 40.29 0.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.565 1.166 . . . . 0.0 109.626 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 35' ' ' HIS . 2.1 p 48.79 -179.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 48.49 22.23 2.45 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.105 . . . . 0.0 110.978 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.602 ' CD2' ' SG ' ' A' ' 43' ' ' CYS . 3.6 m-85 -129.25 -167.22 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 0.758 . . . . 0.0 110.94 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.729 HG12 ' H ' ' A' ' 40' ' ' GLY . 1.6 t -148.25 -166.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.729 ' H ' HG12 ' A' ' 39' ' ' VAL . . . 71.34 -163.43 54.12 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.413 1.07 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.4 -24.8 10.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.588 0.816 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.62 11.2 16.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 110.283 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.602 ' SG ' ' CD2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER 77.1 17.73 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 108.342 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -58.61 -44.01 89.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.75 173.41 7.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 38' ' ' TYR . . . -153.36 120.59 5.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.507 ' N ' ' HD1' ' A' ' 4' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.571 ' CE2' ' HG ' ' A' ' 24' ' ' LEU . 1.1 t80 -179.14 64.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 6' ' ' ASN . 0.3 OUTLIER -138.51 -75.96 0.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' ASN . 0.6 OUTLIER -38.63 114.36 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 1.6 p -133.99 119.19 14.54 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 108.282 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.537 ' HD2' HG21 ' A' ' 13' ' ' THR . 18.4 Cg_endo -74.95 170.86 19.47 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.542 1.811 . . . . 0.0 111.027 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 12' ' ' HIS . 0.7 OUTLIER -77.16 -65.42 0.95 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.9 t -46.49 96.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.977 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.684 ' O ' HG22 ' A' ' 13' ' ' THR . 0.0 OUTLIER 74.69 156.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.618 1.199 . . . . 0.0 109.636 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.684 HG22 ' O ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER 86.67 -23.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -104.39 21.31 16.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.283 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.593 ' CZ ' ' HA ' ' A' ' 12' ' ' HIS . 22.6 m-85 -63.25 74.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 1.097 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -162.27 114.8 1.7 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 108.275 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -72.4 -13.22 61.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.432 ' O ' ' HB2' ' A' ' 35' ' ' HIS . 3.6 t-160 -163.57 71.54 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 109.582 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.472 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -168.93 165.16 38.7 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -72.36 163.94 27.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 0.805 . . . . 0.0 110.413 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.61 ' SG ' HG23 ' A' ' 13' ' ' THR . 3.7 t -121.6 139.3 53.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 108.275 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.562 ' HG2' ' CD1' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -152.57 147.85 26.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 110.349 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.613 ' CE2' ' HA ' ' A' ' 28' ' ' ASP . 57.3 t80 -133.42 115.13 14.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.646 HD22 ' HB2' ' A' ' 26' ' ' GLN . 0.4 OUTLIER -67.19 72.21 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.353 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -39.84 -43.61 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.646 ' HB2' HD22 ' A' ' 24' ' ' LEU . 27.4 mt-30 -46.85 -43.99 19.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -113.99 15.37 18.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.285 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.613 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 7.2 p-10 36.35 47.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -118.42 141.76 30.24 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.587 1.179 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.581 ' HG3' ' CD2' ' A' ' 12' ' ' HIS . 18.3 Cg_endo -75.06 140.3 25.12 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.514 1.797 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -162.74 100.63 1.02 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.472 1.108 . . . . 0.0 109.256 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 1.097 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -99.4 139.59 34.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 108.32 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' THR . 39.6 t -92.99 159.69 2.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.454 ' SG ' ' CB ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -68.95 -155.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 108.309 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.546 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -142.89 69.69 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.569 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.2 t 89.59 66.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.095 . . . . 0.0 110.013 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 40.99 39.61 2.05 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.092 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.997 ' CE1' ' HB2' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -75.6 163.93 26.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 110.889 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.622 HG12 ' N ' ' A' ' 40' ' ' GLY . 96.3 t -135.52 -110.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.622 ' N ' HG12 ' A' ' 39' ' ' VAL . . . 58.21 -136.52 50.88 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.458 1.099 . . . . 0.0 110.95 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.45 ' O ' ' CB ' ' A' ' 42' ' ' ARG . . . -117.24 101.28 8.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.478 0.752 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.565 HH21 ' HB3' ' A' ' 15' ' ' PHE . 3.4 ttt180 80.48 29.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 0.0 110.317 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 42' ' ' ARG . 8.3 m 67.98 39.68 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 108.281 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -87.56 -43.54 11.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.544 1.153 . . . . 0.0 110.323 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.419 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 6.8 m80 -104.94 -176.17 3.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.997 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . . . -132.05 113.5 13.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.597 ' HB2' HG21 ' A' ' 39' ' ' VAL . 14.1 t70 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.777 ' CG ' HE21 ' A' ' 26' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' A' ' 6' ' ' ASN . 3.3 t80 57.17 157.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.6 ' O ' ' CE2' ' A' ' 5' ' ' PHE . 15.0 m120 -120.1 -91.67 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.408 ' HA ' ' CZ ' ' A' ' 5' ' ' PHE . 0.7 OUTLIER -164.8 27.76 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 56.71 93.2 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 108.32 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -178.89 4.46 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.478 1.778 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 12' ' ' HIS . 1.6 p30 -54.96 -19.74 7.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.46 ' C ' ' CD2' ' A' ' 12' ' ' HIS . 56.6 m -37.2 -32.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.509 ' CE1' ' HB3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -151.43 84.93 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.552 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.4 t -81.66 -9.71 59.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.411 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 4.7 mt-30 -118.36 -115.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.417 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 2.3 t80 65.21 5.43 3.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 1.133 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -162.51 172.18 15.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 108.318 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 44' ' ' GLU . 5.1 t80 -85.64 -57.89 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.763 ' CD2' ' CZ ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -164.52 64.55 0.14 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.45 1.094 . . . . 0.0 109.642 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -126.65 -163.55 11.52 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.775 ' CB ' HG22 ' A' ' 33' ' ' VAL . 1.7 m -79.47 -175.12 4.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.512 ' H ' HG22 ' A' ' 20' ' ' THR . 0.5 OUTLIER -142.21 147.15 36.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 108.355 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -162.39 116.71 1.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.403 ' CG ' ' HE1' ' A' ' 12' ' ' HIS . 2.0 t80 -117.24 103.33 10.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' ASP . 1.2 tp -77.31 77.36 3.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.413 1.071 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -48.47 -46.52 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.777 HE21 ' CG ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -38.73 -44.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 28' ' ' ASP . 6.5 mm-40 -120.56 22.05 11.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 27' ' ' GLU . 60.5 t0 35.51 71.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -122.61 86.2 49.13 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.372 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.509 ' HB3' ' CE1' ' A' ' 12' ' ' HIS . 18.4 Cg_endo -74.97 113.14 3.72 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.455 1.766 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -161.83 151.4 16.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 1.133 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -109.01 -178.8 3.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 108.333 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.775 HG22 ' CB ' ' A' ' 20' ' ' THR . 1.8 m -130.33 164.61 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.24 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.459 ' N ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -75.86 166.86 22.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 108.245 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.405 ' HB2' ' HH ' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -118.04 15.28 14.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.613 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m 60.15 153.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 109.939 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.85 -10.15 60.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.763 ' CZ ' ' CD2' ' A' ' 18' ' ' HIS . 3.3 p90 -161.98 -170.52 2.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 111.037 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.65 HG23 ' N ' ' A' ' 40' ' ' GLY . 15.6 m -155.32 -138.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.188 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.65 ' N ' HG23 ' A' ' 39' ' ' VAL . . . 113.55 18.56 6.99 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 79.84 -55.29 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 0.774 . . . . 0.0 109.26 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.452 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -103.21 -4.37 24.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 19.0 m 84.2 69.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 108.22 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 17.3 pt-20 -132.95 -41.79 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.216 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.409 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 12.8 m-70 -92.38 150.15 20.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.442 ' HA ' ' HB2' ' A' ' 38' ' ' TYR . . . -117.13 112.5 20.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 46' ' ' ALA . 12.2 t70 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.358 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.766 ' C ' HG13 ' A' ' 2' ' ' VAL . 3.6 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.766 HG13 ' C ' ' A' ' 1' ' ' VAL . 1.2 m 67.16 -56.42 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.232 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.58 ' N ' ' CG2' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -44.63 157.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.95 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.61 -172.14 3.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.587 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.828 ' HA ' HG12 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -135.55 178.2 7.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -153.89 -87.62 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.32 101.83 2.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.582 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -72.29 -48.92 9.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 108.281 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 8' ' ' CYS . 18.1 Cg_endo -75.03 129.08 11.98 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' A' ' 11' ' ' SER . 5.0 m-20 -167.15 35.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' A' ' 10' ' ' ASP . 1.4 m 88.13 -42.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 110.047 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.427 ' CD2' ' HG3' ' A' ' 30' ' ' PRO . 76.4 m-70 -70.08 -7.39 40.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.56 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -62.8 -10.88 14.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.419 ' HA ' ' OE1' ' A' ' 14' ' ' GLN . 2.5 tp-100 -77.17 2.03 16.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.584 ' HA ' HH12 ' A' ' 42' ' ' ARG . 7.2 m-85 -86.95 19.41 3.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.133 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -150.88 131.59 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 108.309 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.598 ' CG ' ' HA ' ' A' ' 44' ' ' GLU . 25.9 t80 -82.71 -41.02 19.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.765 ' CD2' ' CZ ' ' A' ' 38' ' ' TYR . 14.8 t60 -170.85 78.65 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.603 1.189 . . . . 0.0 109.611 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.419 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -157.97 -167.25 18.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.562 1.164 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -73.54 152.13 40.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 0.785 . . . . 0.0 110.416 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.444 ' C ' ' CG ' ' A' ' 22' ' ' ARG . 4.2 t -127.8 140.49 52.01 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.502 1.126 . . . . 0.0 108.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.444 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 0.7 OUTLIER -156.83 118.09 3.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.407 ' O ' ' CB ' ' A' ' 5' ' ' PHE . 82.7 t80 -115.8 115.89 27.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 111.045 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.92 HD23 ' HB2' ' A' ' 27' ' ' GLU . 1.3 tp -74.75 101.12 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.828 HG12 ' HA ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -57.21 -83.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.348 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.742 ' H ' HG13 ' A' ' 25' ' ' VAL . 13.2 mt-30 -34.82 -35.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.92 ' HB2' HD23 ' A' ' 24' ' ' LEU . 2.3 mt-10 -115.66 52.83 0.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.63 ' C ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -18.35 95.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' GLU . 14.5 mttm -154.21 97.71 2.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.427 ' HG3' ' CD2' ' A' ' 12' ' ' HIS . 18.3 Cg_endo -75.05 119.9 5.83 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.503 1.791 . . . . 0.0 110.942 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -155.66 117.86 4.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.133 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -109.61 128.41 55.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 108.349 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 45.8 t -81.92 164.46 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 109.365 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.464 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 1.5 t -65.33 -155.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 108.236 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.502 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -131.31 -76.33 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.579 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.7 t 159.26 145.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.051 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.53 16.22 43.24 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.426 1.079 . . . . 0.0 111.034 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.765 ' CZ ' ' CD2' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -105.67 -168.56 1.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 0.793 . . . . 0.0 110.981 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.716 HG11 ' HB3' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -160.97 173.59 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.26 160.39 14.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.56 -39.54 73.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.584 HH12 ' HA ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -123.71 16.48 9.49 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 5.8 m 87.08 35.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 108.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.598 ' HA ' ' CG ' ' A' ' 17' ' ' PHE . 30.5 mm-40 -74.82 -38.62 62.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.445 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 1.1 m80 -88.92 161.81 16.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.578 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 47' ' ' ASP . . . -126.79 105.16 8.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.551 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER 52.07 175.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.779 ' O ' HD22 ' A' ' 49' ' ' LEU . 1.3 tp 79.11 18.35 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.779 HD22 ' O ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -154.17 48.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.134 0 CA-C-O 117.055 -1.45 . . . . 0.0 109.277 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.685 ' O ' HG13 ' A' ' 1' ' ' VAL . 9.5 p . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.9 t -126.17 -51.92 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.31 160.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.541 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 0.2 OUTLIER 177.64 133.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.622 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.568 ' CG ' ' O ' ' A' ' 5' ' ' PHE . 77.2 t80 36.87 39.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.422 ' C ' ' N ' ' A' ' 8' ' ' CYS . 3.2 t-20 -159.05 166.01 32.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 48.1 23.31 0.5 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.409 1.068 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.329 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -51.21 177.35 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 108.296 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 8' ' ' CYS . 18.3 Cg_endo -75.03 -168.4 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.591 ' O ' ' CB ' ' A' ' 11' ' ' SER . 30.2 t0 -107.01 65.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.591 ' CB ' ' O ' ' A' ' 10' ' ' ASP . 2.3 t 92.29 -39.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -42.11 -27.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.608 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.621 HG21 ' HB2' ' A' ' 21' ' ' CYS . 0.2 OUTLIER -46.79 -84.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.677 ' C ' ' CG ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -107.51 3.64 25.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 0.0 110.275 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.677 ' CG ' ' C ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER 68.73 114.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.066 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -146.92 170.19 17.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.334 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.557 ' CG ' ' HB2' ' A' ' 44' ' ' GLU . 4.1 m-85 -109.47 -23.11 11.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.578 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 3.2 t-160 -176.08 80.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 109.639 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.423 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -158.6 167.23 34.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.521 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -74.89 124.86 27.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 0.778 . . . . 0.0 110.369 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 1.329 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -81.93 144.11 31.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 108.301 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.428 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -162.62 110.24 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.438 ' O ' ' N ' ' A' ' 25' ' ' VAL . 0.3 OUTLIER -104.56 104.44 14.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 111.064 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.552 HD12 ' HB2' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -67.95 68.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.541 ' CG1' ' HA ' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -41.55 -42.6 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.552 ' HB2' HD12 ' A' ' 24' ' ' LEU . 5.2 mt-30 -43.33 -43.59 5.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 28' ' ' ASP . 8.0 mt-10 -118.67 14.26 13.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' LEU . 9.4 t70 37.77 67.66 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.598 1.186 . . . . 0.0 109.363 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -135.61 119.15 12.8 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.448 ' HB2' ' CA ' ' A' ' 14' ' ' GLN . 18.3 Cg_endo -75.02 131.17 13.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 0.0 111.061 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -163.12 132.05 4.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.228 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.066 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 24.5 p -133.18 131.6 40.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.307 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 20' ' ' THR . 5.3 t -80.54 157.52 4.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -60.16 -169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 108.36 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -148.69 -86.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.567 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -70.92 61.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.083 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 36' ' ' SER . . . 34.55 41.01 0.21 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 18' ' ' HIS . 51.1 m-85 -72.0 -159.8 0.05 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 0.769 . . . . 0.0 110.98 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 40' ' ' GLY . 11.2 t -73.12 -124.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.374 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.464 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -148.59 -52.21 0.02 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' GLY . . . -38.19 -89.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 0.786 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -96.22 -11.71 25.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.1 m 61.03 31.24 19.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 108.281 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.557 ' HB2' ' CG ' ' A' ' 17' ' ' PHE . 16.6 pt-20 -92.58 -33.1 14.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.46 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -92.71 162.34 14.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.571 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.01 105.34 16.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -41.43 161.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.673 HD22 ' N ' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -104.96 178.16 4.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.212 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.7 tp -172.32 66.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 109.237 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-O 117.015 -1.469 . . . . 0.0 109.287 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.7 HG12 ' H ' ' A' ' 2' ' ' VAL . 2.2 t . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.7 ' H ' HG12 ' A' ' 1' ' ' VAL . 65.9 t -111.3 -34.44 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.587 ' HA ' ' CE1' ' A' ' 5' ' ' PHE . 2.6 m -49.96 94.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 2' ' ' VAL . 17.1 t-160 -106.31 16.71 24.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.617 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.638 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -118.53 92.18 3.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 111.019 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 7' ' ' ASP . 0.3 OUTLIER -100.56 -77.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 8' ' ' CYS . 2.1 m-20 -50.67 -179.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.571 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER 158.44 -49.75 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 108.26 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 8' ' ' CYS . 18.4 Cg_endo -74.95 123.39 7.87 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 111.048 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.414 ' O ' ' CB ' ' A' ' 11' ' ' SER . 5.2 m-20 -107.97 44.78 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.605 1.191 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.438 ' C ' ' CG ' ' A' ' 12' ' ' HIS . 2.3 p 80.34 25.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 110.034 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.438 ' CG ' ' C ' ' A' ' 11' ' ' SER . 0.0 OUTLIER 52.44 95.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.693 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.514 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 11.6 p -106.05 -63.36 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.403 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.514 ' CG ' ' O ' ' A' ' 13' ' ' THR . 5.4 mt-30 -170.61 37.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.32 -36.39 3.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -161.36 133.4 5.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 108.32 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.522 ' CB ' ' HA ' ' A' ' 44' ' ' GLU . 0.1 OUTLIER -122.03 -18.32 6.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.636 ' CD2' ' O ' ' A' ' 18' ' ' HIS . 33.7 p-80 -158.77 65.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.576 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -162.53 179.52 37.78 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.479 1.112 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -76.08 154.38 35.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 110.396 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -120.53 140.38 51.55 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.599 1.187 . . . . 0.0 108.329 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.48 ' HD2' HG23 ' A' ' 33' ' ' VAL . 1.4 mtt-85 -155.1 109.35 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 5' ' ' PHE . 0.6 OUTLIER -111.31 107.81 17.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 28' ' ' ASP . 1.7 tp -75.1 70.39 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -43.55 -46.3 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.192 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.446 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -45.73 -33.07 2.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.43 1.081 . . . . 0.0 110.243 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 28' ' ' ASP . 0.3 OUTLIER -124.88 17.81 8.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.27 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' GLU . 76.6 m-20 35.69 53.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -114.75 93.16 32.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 120.72 6.2 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.526 1.803 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -158.3 125.03 4.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -112.18 129.15 56.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 108.259 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.48 HG23 ' HD2' ' A' ' 22' ' ' ARG . 51.1 t -81.38 149.21 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.226 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.423 ' SG ' ' OH ' ' A' ' 38' ' ' TYR . 98.2 m -66.51 -170.22 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 108.275 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.569 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -126.17 -85.16 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.56 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.7 p 153.57 161.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 110.029 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.81 27.9 61.93 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.538 1.149 . . . . 0.0 111.039 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.604 ' CE2' ' O ' ' A' ' 39' ' ' VAL . 38.8 p90 -137.12 -156.75 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.771 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.604 ' O ' ' CE2' ' A' ' 38' ' ' TYR . 2.1 t -92.33 -142.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.343 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.725 ' O ' ' HB2' ' A' ' 41' ' ' ALA . . . -146.87 137.46 6.72 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 40' ' ' GLY . . . 159.6 -80.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.406 ' C ' ' SG ' ' A' ' 43' ' ' CYS . 3.8 mpp_? -133.32 6.13 3.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.607 ' C ' ' CE1' ' A' ' 18' ' ' HIS . 0.3 OUTLIER 72.06 43.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 108.317 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.522 ' HA ' ' CB ' ' A' ' 17' ' ' PHE . 9.3 tt0 -115.76 -28.95 6.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.608 1.192 . . . . 0.0 110.303 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.489 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 3.2 m170 -109.48 144.66 37.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.57 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' A' ' 38' ' ' TYR . . . -141.46 123.7 15.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -40.19 149.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.92 18.28 1.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.86 59.0 1.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.201 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 116.928 -1.51 . . . . 0.0 109.311 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.63 HG23 ' OE1' ' A' ' 26' ' ' GLN . 10.0 m -108.76 -26.67 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.5 p 63.81 101.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.433 ' HB3' ' CG ' ' A' ' 26' ' ' GLN . 2.6 t-160 -159.4 78.86 0.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.616 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -117.4 163.87 15.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 7' ' ' ASP . 63.2 t30 -140.91 -65.1 0.45 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.6 ' OD2' ' CD2' ' A' ' 23' ' ' PHE . 5.9 m-20 -59.86 -153.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.486 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER 170.01 -54.33 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 108.309 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.52 ' HA ' ' CE2' ' A' ' 15' ' ' PHE . 18.5 Cg_endo -74.92 127.8 11.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.577 1.83 . . . . 0.0 111.025 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.411 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.2 OUTLIER -127.83 24.35 6.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 109.353 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 p 64.72 65.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 59.81 95.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.593 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 14' ' ' GLN . 0.5 OUTLIER 178.95 133.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 13' ' ' THR . 40.6 mt-30 36.45 41.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.52 ' CE2' ' HA ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -101.78 -162.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 111.039 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -155.19 143.75 20.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.405 1.066 . . . . 0.0 108.338 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -28.32 69.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.797 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -169.2 71.78 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.616 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 33' ' ' VAL . . . -132.15 -142.76 5.0 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.068 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.822 HG23 ' NE2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -124.3 99.09 6.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 0.745 . . . . 0.0 110.448 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.434 ' C ' ' CG ' ' A' ' 22' ' ' ARG . 17.4 p -73.23 136.85 44.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 108.308 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.434 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 2.1 mtt-85 -155.53 111.09 3.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.617 ' CE2' ' HA ' ' A' ' 28' ' ' ASP . 71.1 t80 -92.04 111.15 22.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.71 HD12 ' HB2' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -67.42 72.48 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -39.99 -40.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.71 ' HB2' HD12 ' A' ' 24' ' ' LEU . 17.0 mt-30 -43.82 -44.77 7.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.34 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 1.9 mp0 -118.04 8.34 12.45 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.456 1.097 . . . . 0.0 110.366 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.617 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 0.0 OUTLIER 44.18 72.27 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.079 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 2.6 mtpp -145.34 129.18 8.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 119.08 5.5 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.538 1.809 . . . . 0.0 111.042 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.94 112.38 5.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -101.03 -173.81 2.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 108.314 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 20' ' ' THR . 42.5 t -150.55 151.23 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.472 ' SG ' ' CD2' ' A' ' 38' ' ' TYR . 1.3 m -62.98 169.47 3.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 108.264 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.822 ' NE2' HG23 ' A' ' 20' ' ' THR . 0.0 OUTLIER -119.49 -40.75 2.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.647 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.9 p 159.49 144.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.392 1.057 . . . . 0.0 109.968 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.13 56.21 19.47 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.663 ' OH ' ' CD2' ' A' ' 18' ' ' HIS . 4.0 m-85 -131.97 -176.73 4.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 0.784 . . . . 0.0 111.065 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.577 HG22 ' CA ' ' A' ' 47' ' ' ASP . 86.7 t -94.99 -99.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.361 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.525 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -174.23 44.75 0.14 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.421 1.076 . . . . 0.0 111.063 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -134.71 -107.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 0.724 . . . . 0.0 109.385 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -90.04 -1.33 57.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.617 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 79.2 m 71.18 45.03 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 108.23 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -104.96 -40.16 6.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.494 ' C ' HG23 ' A' ' 39' ' ' VAL . 10.4 m-70 -104.38 160.31 15.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.549 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.565 ' HA ' ' HA ' ' A' ' 38' ' ' TYR . . . -110.77 100.23 9.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.577 ' CA ' HG22 ' A' ' 39' ' ' VAL . 1.0 OUTLIER 55.78 166.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER 74.95 140.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.562 ' N ' HD12 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -168.15 73.15 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.003 -1.475 . . . . 0.0 109.338 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.427 ' O ' ' CB ' ' A' ' 2' ' ' VAL . 28.4 m . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.534 HG12 ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER 80.35 -51.93 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.567 ' OG ' ' CE1' ' A' ' 5' ' ' PHE . 3.3 t 85.39 138.37 0.05 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.517 1.135 . . . . 0.0 110.016 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.582 ' CG ' ' HB3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -139.83 81.18 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.612 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.65 ' CZ ' HD21 ' A' ' 24' ' ' LEU . 1.6 m-85 -133.83 97.72 3.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.716 HD22 ' HB ' ' A' ' 25' ' ' VAL . 0.7 OUTLIER -111.58 -151.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.517 ' HB2' ' CB ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER 36.29 -150.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.558 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER 166.91 -50.42 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 108.277 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 8' ' ' CYS . 18.3 Cg_endo -74.97 119.94 5.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.03 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.456 ' OD2' ' CA ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -104.78 -8.2 18.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 12' ' ' HIS . 0.4 OUTLIER 38.17 77.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.979 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.631 ' O ' HG22 ' A' ' 13' ' ' THR . 2.8 t-160 89.63 168.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.615 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER 88.32 -37.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 110.393 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 13' ' ' THR . 2.0 mt-30 -175.72 -96.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.478 ' CE1' ' O ' ' A' ' 8' ' ' CYS . 3.0 t80 45.71 -173.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.203 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -124.82 -175.57 3.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.258 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.598 ' CZ ' ' OE2' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -112.84 -41.91 3.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.71 ' CD2' ' CZ ' ' A' ' 38' ' ' TYR . 30.5 p-80 -151.02 62.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.566 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.416 ' HA2' ' CG ' ' A' ' 35' ' ' HIS . . . -150.44 -166.26 13.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 33' ' ' VAL . 0.8 OUTLIER -75.11 154.75 37.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 0.779 . . . . 0.0 110.318 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 5.5 p -139.44 137.71 35.85 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.52 1.138 . . . . 0.0 108.267 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.446 ' CG ' ' C ' ' A' ' 21' ' ' CYS . 4.5 mtt-85 -157.17 101.45 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.517 ' CB ' ' HB2' ' A' ' 7' ' ' ASP . 1.6 t80 -80.12 117.16 20.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.65 HD21 ' CZ ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -73.83 86.29 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.716 ' HB ' HD22 ' A' ' 6' ' ' ASN . 0.3 OUTLIER -56.51 -48.94 79.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.582 ' HB3' ' CG ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -49.82 -34.03 18.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.517 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 2.7 mm-40 -109.09 10.78 25.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 110.357 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 24' ' ' LEU . 5.7 m-20 35.87 45.61 0.29 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 3.4 mmmt -135.75 129.19 18.23 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.401 1.063 . . . . 0.0 109.386 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 119.2 5.55 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.514 1.797 . . . . 0.0 111.035 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -130.29 95.94 4.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.203 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -97.36 147.61 24.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.279 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' THR . 68.1 t -108.93 157.73 9.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.99 176.31 8.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 108.256 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.417 ' HB3' ' OH ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -103.7 -3.11 25.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.624 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t 74.96 133.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.969 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.92 14.76 30.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.71 ' CZ ' ' CD2' ' A' ' 18' ' ' HIS . 11.0 m-30 -110.77 -163.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 0.797 . . . . 0.0 111.078 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.662 HG12 ' N ' ' A' ' 40' ' ' GLY . 50.7 t -78.52 -97.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.662 ' N ' HG12 ' A' ' 39' ' ' VAL . . . 170.49 40.73 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.09 -84.02 0.56 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.74 . . . . 0.0 109.389 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -127.85 2.32 6.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 8.8 m 82.65 69.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.289 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.598 ' OE2' ' CZ ' ' A' ' 17' ' ' PHE . 4.9 tt0 -144.32 -42.9 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.266 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.16 157.66 18.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.569 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.43 110.56 14.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 48' ' ' LEU . 10.3 t0 -52.62 -97.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.447 ' N ' ' CG ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER 58.21 17.74 4.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.438 HD23 ' H ' ' A' ' 50' ' ' ALA . 1.3 tp -123.19 -107.48 0.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.438 ' H ' HD23 ' A' ' 49' ' ' LEU . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 117.073 -1.441 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.524 ' O ' ' C ' ' A' ' 2' ' ' VAL . 1.9 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.814 HG22 ' N ' ' A' ' 3' ' ' SER . 0.8 OUTLIER 31.28 -97.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.393 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.814 ' N ' HG22 ' A' ' 2' ' ' VAL . 17.2 t 174.86 175.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.045 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -126.5 -166.42 1.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 109.616 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.547 ' CD1' ' HB2' ' A' ' 22' ' ' ARG . 12.2 p90 -106.88 151.19 25.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.461 HD22 ' C ' ' A' ' 5' ' ' PHE . 1.4 m-80 -138.75 -90.86 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.411 ' O ' ' CB ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -88.03 147.66 24.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.2 p -130.94 141.61 42.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 108.297 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.571 ' HD3' ' CD2' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.02 -97.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.45 1.763 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.541 ' HA ' ' CD1' ' A' ' 15' ' ' PHE . 1.5 p30 156.57 46.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -52.04 -173.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.943 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -91.12 30.52 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.621 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.538 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 1.5 t -86.39 18.21 3.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER 89.12 -22.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.558 ' CE1' ' SG ' ' A' ' 21' ' ' CYS . 1.6 t80 31.48 -145.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 110.968 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.288 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER -150.01 154.35 38.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 108.316 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.573 ' CG ' ' HB3' ' A' ' 44' ' ' GLU . 8.7 m-85 -94.56 -32.25 13.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.963 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 3.5 t-160 -163.5 69.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.59 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.99 -175.64 15.56 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -77.15 106.62 8.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.745 . . . . 0.0 110.417 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.558 ' SG ' ' CE1' ' A' ' 15' ' ' PHE . 4.1 t -92.77 142.18 27.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 108.249 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.547 ' HB2' ' CD1' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -157.72 108.73 2.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 0.0 110.341 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.571 ' CD2' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -87.68 107.88 18.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.997 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 28' ' ' ASP . 1.4 mt -72.87 75.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.485 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -46.82 -49.15 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.527 ' HB3' HG22 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -54.47 -26.71 32.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 28' ' ' ASP . 3.0 tp10 -108.2 2.79 23.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.591 1.182 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER 37.12 60.7 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.26 123.94 1.99 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 124.73 8.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.46 ' O ' ' CG ' ' A' ' 22' ' ' ARG . . . -146.38 122.46 10.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.172 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.288 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 31.0 p -116.25 -170.6 1.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 108.314 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 20' ' ' THR . 53.6 t -152.34 149.17 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 39' ' ' VAL . 12.5 t -52.94 167.91 0.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 108.257 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -107.86 150.81 26.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.524 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.41 132.73 49.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.602 1.189 . . . . 0.0 109.965 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.37 56.35 14.05 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.562 1.164 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.614 ' CD2' ' O ' ' A' ' 45' ' ' HIS . 0.1 OUTLIER -144.11 -160.58 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 111.004 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.459 HG13 ' O ' ' A' ' 45' ' ' HIS . 13.6 m -98.95 -157.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -120.06 -148.65 8.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.121 . . . . 0.0 110.956 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 57.81 -91.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.4 HH21 ' HB2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -111.94 -12.6 13.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.348 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.1 m 68.17 49.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 108.367 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.573 ' HB3' ' CG ' ' A' ' 17' ' ' PHE . 2.7 pm0 -93.16 -25.1 18.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.572 1.17 . . . . 0.0 110.272 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.614 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 3.0 m170 -107.2 160.36 15.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.646 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.41 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . . . -111.35 103.88 12.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.697 ' O ' HD22 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -52.01 162.71 0.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.697 HD22 ' O ' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -146.9 -163.09 1.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.1 50.53 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.138 0 CA-C-O 116.961 -1.495 . . . . 0.0 109.318 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.766 HG22 ' N ' ' A' ' 3' ' ' SER . 0.4 OUTLIER -138.11 -91.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.382 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.766 ' N ' HG22 ' A' ' 2' ' ' VAL . 1.4 p -39.41 134.48 1.21 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -147.37 73.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.597 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.822 ' HB2' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -103.62 165.46 11.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.605 ' O ' ' CZ ' ' A' ' 5' ' ' PHE . 2.6 m-80 -140.7 -88.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.58 164.52 19.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -111.38 103.41 54.97 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 108.264 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 10' ' ' ASP . 18.2 Cg_endo -75.08 -172.98 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -39.39 -44.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.435 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 20.0 t -38.87 158.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.612 ' CD2' ' SG ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER 82.71 -48.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.581 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.577 ' N ' ' CD2' ' A' ' 12' ' ' HIS . 73.0 p 48.8 -89.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.357 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 12' ' ' HIS . 2.4 mp0 -93.79 -104.34 0.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.476 ' CB ' ' O ' ' A' ' 14' ' ' GLN . 0.4 OUTLIER 73.82 -3.01 2.61 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.524 1.14 . . . . 0.0 110.956 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -165.01 143.24 6.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 108.277 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.622 ' CD2' ' O ' ' A' ' 44' ' ' GLU . 1.3 m-85 -69.41 -30.04 67.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.792 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -177.52 80.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.598 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -146.89 -172.09 16.81 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.55 168.95 19.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 110.418 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.612 ' SG ' ' CD2' ' A' ' 12' ' ' HIS . 44.3 t -126.18 148.74 49.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 108.279 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.11 137.92 14.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.255 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -129.25 109.23 10.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.822 HD12 ' HB2' ' A' ' 5' ' ' PHE . 2.0 tp -77.17 81.82 3.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.427 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -42.74 -45.01 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.51 ' OE1' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -50.0 -40.5 44.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' ASP . 10.0 mt-10 -100.62 4.35 43.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 27' ' ' GLU . 46.7 t0 36.63 48.64 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 5.4 pttp -140.05 139.08 20.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 29' ' ' LYS . 18.4 Cg_endo -74.92 148.84 36.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.561 1.822 . . . . 0.0 111.074 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.45 109.38 1.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.602 1.189 . . . . 0.0 109.23 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -96.8 167.19 11.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 108.303 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.6 t -131.9 156.54 42.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 m -64.85 -177.53 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 108.323 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -125.12 12.41 8.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.566 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 p 79.14 143.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.9 29.95 62.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.638 ' OH ' ' CD2' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -105.35 -175.83 2.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 0.746 . . . . 0.0 111.063 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.527 HG12 ' H ' ' A' ' 40' ' ' GLY . 1.9 t -153.71 -142.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.527 ' H ' HG12 ' A' ' 39' ' ' VAL . . . 38.25 -129.02 1.69 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 42' ' ' ARG . . . -147.23 146.25 29.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER 75.97 -1.15 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.622 ' HB3' ' CD2' ' A' ' 38' ' ' TYR . 9.6 m 81.25 18.41 0.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 108.269 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.622 ' O ' ' CD2' ' A' ' 17' ' ' PHE . 34.1 mt-10 -68.31 -52.3 35.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.488 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 5.1 m170 -88.05 169.55 11.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.53 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.604 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -151.89 147.14 26.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.511 ' N ' HG23 ' A' ' 39' ' ' VAL . 2.1 p-10 -42.02 162.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.407 1.067 . . . . 0.0 109.351 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.608 ' C ' HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -140.72 168.03 20.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.3 mt -123.14 -107.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.228 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 116.997 -1.477 . . . . 0.0 109.285 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' A' ' 3' ' ' SER . 16.4 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.808 HG22 ' N ' ' A' ' 3' ' ' SER . 0.3 OUTLIER 33.98 -94.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.808 ' N ' HG22 ' A' ' 2' ' ' VAL . 0.3 OUTLIER -36.21 154.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.011 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.673 ' CD2' ' O ' ' A' ' 3' ' ' SER . 2.2 p-80 45.25 -171.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 109.638 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -86.47 140.51 29.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.839 HD22 ' H ' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -153.37 -94.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.839 ' H ' HD22 ' A' ' 6' ' ' ASN . 17.7 m-20 -86.0 1.05 51.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.646 ' O ' HG22 ' A' ' 13' ' ' THR . 21.2 p 42.71 52.7 8.01 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 108.274 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.646 ' HD3' ' N ' ' A' ' 8' ' ' CYS . 18.4 Cg_endo -74.98 138.0 22.51 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.459 1.768 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.565 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 1.3 p30 150.11 31.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 10' ' ' ASP . 4.9 t 60.52 138.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.562 ' HB3' ' CD1' ' A' ' 15' ' ' PHE . 25.2 m80 73.77 8.75 4.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.613 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.646 HG22 ' O ' ' A' ' 8' ' ' CYS . 72.5 p -34.82 -71.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.478 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 32' ' ' CYS . 35.9 mt-30 -44.95 -70.6 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 110.387 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 12' ' ' HIS . 0.0 OUTLIER 67.04 10.15 7.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.172 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -146.44 121.11 9.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 108.26 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -72.91 -1.87 18.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.645 ' CG ' ' CZ ' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -169.8 67.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.571 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.467 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -171.39 179.17 43.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -89.5 172.04 9.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 110.371 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 15.2 t -126.28 146.89 49.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 108.314 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 31' ' ' ALA . 11.0 ttt180 -153.06 123.34 7.09 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.63 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 43.2 t80 -140.52 109.79 6.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' ASP . 9.8 tp -76.25 79.89 3.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.614 HG23 ' HE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -41.68 -40.57 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.34 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.406 ' CG ' ' HA ' ' A' ' 4' ' ' HIS . 6.5 mt-30 -44.77 -44.79 9.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 28' ' ' ASP . 2.1 mm-40 -119.78 17.1 12.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 110.285 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.63 ' HA ' ' CZ ' ' A' ' 23' ' ' PHE . 71.4 m-20 38.2 66.79 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.5 mtmm -118.17 95.63 48.65 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.578 1.173 . . . . 0.0 109.307 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 123.19 7.74 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.542 1.812 . . . . 0.0 111.056 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 22' ' ' ARG . . . -162.38 112.75 1.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.172 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -98.16 149.6 22.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 108.319 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.532 HG12 ' N ' ' A' ' 34' ' ' CYS . 69.6 t -108.1 167.03 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 109.298 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.532 ' N ' HG12 ' A' ' 33' ' ' VAL . 4.1 t -77.79 174.85 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 108.342 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.538 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -109.51 -77.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.069 . . . . 0.0 109.624 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.7 p 156.76 148.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.988 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.495 ' C ' ' CD1' ' A' ' 38' ' ' TYR . . . 92.26 17.02 48.22 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.127 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.645 ' CZ ' ' CG ' ' A' ' 18' ' ' HIS . 1.2 m-85 -137.96 -158.91 0.9 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.519 0.776 . . . . 0.0 111.048 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.485 ' O ' ' C ' ' A' ' 40' ' ' GLY . 2.8 t -153.28 -46.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.485 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -30.65 140.3 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.105 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.63 -53.66 29.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.584 0.814 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.458 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -79.28 -14.46 59.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 7.2 m 84.46 56.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 108.376 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -114.17 -32.62 5.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 110.353 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -100.67 148.58 24.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.606 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.35 89.68 4.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.462 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 3.4 t70 55.21 167.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.453 ' N ' ' CG ' ' A' ' 47' ' ' ASP . 0.3 OUTLIER -91.68 22.22 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.437 ' CB ' ' OD2' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -144.2 51.2 1.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.263 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.133 0 CA-C-O 116.968 -1.492 . . . . 0.0 109.254 179.918 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 88.6 t . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.491 HG12 ' H ' ' A' ' 3' ' ' SER . 2.7 t -77.18 170.22 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.491 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.3 OUTLIER -50.04 92.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.021 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.573 ' CD2' ' HB3' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -106.58 130.97 54.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.586 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.58 ' HZ ' HH11 ' A' ' 22' ' ' ARG . 1.8 t80 42.33 87.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.412 ' H ' ' ND2' ' A' ' 6' ' ' ASN . 0.2 OUTLIER -96.21 -152.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 8' ' ' CYS . 1.2 m-20 -76.89 -0.6 24.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 7' ' ' ASP . 1.7 t 57.78 106.72 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.341 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 10' ' ' ASP . 18.3 Cg_endo -75.01 179.03 6.49 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.445 1.761 . . . . 0.0 110.976 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.497 ' O ' ' C ' ' A' ' 11' ' ' SER . 3.4 m-20 -39.17 -66.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.497 ' C ' ' O ' ' A' ' 10' ' ' ASP . 94.5 p 31.65 -96.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 0.0 110.039 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.68 ' CE1' ' CE2' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -76.99 89.88 3.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 109.544 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.444 ' C ' ' N ' ' A' ' 15' ' ' PHE . 1.2 p -88.06 -166.96 1.73 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.78 ' HB3' HH22 ' A' ' 42' ' ' ARG . 2.1 mt-30 40.3 27.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 0.0 110.319 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.444 ' N ' ' C ' ' A' ' 13' ' ' THR . 1.2 t80 -111.73 -17.42 12.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.281 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -162.25 107.65 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 108.357 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.478 ' CD2' ' HG3' ' A' ' 44' ' ' GLU . 0.1 OUTLIER -73.98 -15.54 61.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.469 ' CE1' ' OH ' ' A' ' 38' ' ' TYR . 4.5 t-160 -168.43 71.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.579 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.508 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -156.91 178.6 33.24 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.472 ' CB ' ' HB ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -82.86 171.47 13.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 0.784 . . . . 0.0 110.391 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 3.6 t -129.73 141.43 50.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.102 . . . . 0.0 108.279 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.58 HH11 ' HZ ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -149.32 109.11 4.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.68 ' CE2' ' CE1' ' A' ' 12' ' ' HIS . 0.8 OUTLIER -114.13 103.54 11.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 25' ' ' VAL . 1.7 tp -68.85 67.78 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -40.17 -40.83 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.37 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.548 ' HG3' ' CD2' ' A' ' 4' ' ' HIS . 1.5 mt-30 -44.92 -42.15 7.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -119.66 17.23 12.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 27' ' ' GLU . 10.3 t70 37.69 63.36 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.252 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -127.05 114.8 21.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.573 ' HB3' ' CE1' ' A' ' 12' ' ' HIS . 18.3 Cg_endo -75.01 129.29 12.19 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.548 1.815 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.88 98.29 1.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.281 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.6 OUTLIER -96.71 145.83 25.43 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 108.242 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.737 HG12 ' H ' ' A' ' 35' ' ' HIS . 16.2 t -79.43 136.03 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -81.25 3.61 23.34 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.444 1.09 . . . . 0.0 108.277 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.737 ' H ' HG12 ' A' ' 33' ' ' VAL . 0.1 OUTLIER 63.2 65.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.582 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 35' ' ' HIS . 0.6 OUTLIER -32.8 123.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.96 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.81 -8.47 5.5 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.078 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.494 ' O ' HG23 ' A' ' 39' ' ' VAL . 4.4 m-85 -101.68 -170.17 1.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 0.746 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.602 HG21 ' HB2' ' A' ' 47' ' ' ASP . 45.6 t -155.28 -38.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.5 ' O ' ' C ' ' A' ' 41' ' ' ALA . . . -30.49 150.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.5 ' C ' ' O ' ' A' ' 40' ' ' GLY . . . -32.83 -78.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 0.728 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.78 HH22 ' HB3' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -66.16 -62.48 1.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 1.0 OUTLIER 156.85 52.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 108.256 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.478 ' HG3' ' CD2' ' A' ' 17' ' ' PHE . 0.6 OUTLIER -111.79 -40.37 4.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.252 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -80.58 164.17 23.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 109.602 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 38' ' ' TYR . . . -139.82 119.57 13.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.602 ' HB2' HG21 ' A' ' 39' ' ' VAL . 16.0 t0 -54.97 163.16 1.07 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.422 1.076 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.453 ' C ' HD12 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -126.66 17.9 7.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.453 HD12 ' C ' ' A' ' 48' ' ' LEU . 7.4 mp -123.18 -107.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 117.048 -1.453 . . . . 0.0 109.276 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 1' ' ' VAL . 5.9 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 3' ' ' SER . 8.9 p -84.8 -48.85 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.467 ' N ' HG13 ' A' ' 2' ' ' VAL . 0.0 OUTLIER 61.3 120.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.583 ' O ' ' CD2' ' A' ' 5' ' ' PHE . 1.5 t60 -100.21 -141.5 0.33 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.497 1.123 . . . . 0.0 109.551 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.922 ' CE2' HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER 160.81 106.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 5' ' ' PHE . 25.5 m120 -159.52 -111.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.0 106.09 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.596 1.185 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.579 ' HA ' ' HB3' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -86.28 -55.08 0.39 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 108.247 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 8' ' ' CYS . 18.2 Cg_endo -75.0 104.6 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.466 1.771 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.585 ' O ' ' CB ' ' A' ' 11' ' ' SER . 3.5 m-20 -162.04 22.71 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.585 ' CB ' ' O ' ' A' ' 10' ' ' ASP . 1.6 m 151.17 98.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.585 ' CG ' ' O ' ' A' ' 11' ' ' SER . 5.3 m170 92.21 9.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 109.638 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.423 ' C ' ' H ' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -41.53 -24.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 110.485 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.474 ' N ' ' C ' ' A' ' 12' ' ' HIS . 1.6 mt-30 -81.95 27.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.245 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -89.87 10.73 22.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.963 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.106 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -153.81 114.84 4.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 108.283 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.605 ' CE2' ' CD ' ' A' ' 44' ' ' GLU . 62.0 m-85 -52.07 -47.67 65.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -167.27 79.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.553 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.474 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -142.58 -177.06 17.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' ' CB ' ' A' ' 32' ' ' CYS . 1.9 m -78.53 152.41 31.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 0.729 . . . . 0.0 110.383 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -101.14 135.64 42.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.401 1.063 . . . . 0.0 108.321 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -154.74 93.31 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.236 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.635 ' HE2' HG23 ' A' ' 25' ' ' VAL . 3.4 t80 -132.11 118.79 20.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.061 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.922 HD22 ' CE2' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -83.97 104.29 13.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.362 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.635 HG23 ' HE2' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -49.87 -54.11 8.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.179 . . . . 0.0 109.344 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.554 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 9.8 mm-40 -57.89 -17.78 18.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.073 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.567 ' O ' ' C ' ' A' ' 28' ' ' ASP . 2.8 tp10 -114.86 4.72 14.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' A' ' 24' ' ' LEU . 1.3 p30 26.69 47.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -119.95 100.8 48.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.602 1.189 . . . . 0.0 109.252 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.468 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.1 132.71 15.59 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -162.37 118.15 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.106 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.6 OUTLIER -115.9 122.44 45.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.107 . . . . 0.0 108.34 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.677 HG13 ' N ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER -82.0 177.16 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.677 ' N ' HG13 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -64.06 -167.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 108.363 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.474 ' HB2' ' HA2' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -137.23 32.77 2.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.659 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.21 89.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.07 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.614 ' C ' ' CD1' ' A' ' 38' ' ' TYR . . . 147.34 40.85 0.04 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.614 ' CD1' ' C ' ' A' ' 37' ' ' GLY . 83.1 m-85 -158.86 -171.54 3.45 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.58 0.812 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.656 HG12 ' N ' ' A' ' 40' ' ' GLY . 73.6 t -86.78 -103.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.656 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -140.34 -173.7 13.5 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 80.45 -133.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 0.732 . . . . 0.0 109.337 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.37 12.71 7.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 75.79 38.16 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 108.277 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.605 ' CD ' ' CE2' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -89.13 -39.22 13.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.401 ' HB3' HG21 ' A' ' 39' ' ' VAL . 3.0 m170 -81.59 161.62 23.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.591 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.23 113.25 9.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.467 ' N ' HG23 ' A' ' 39' ' ' VAL . 37.0 t0 -52.31 161.52 0.64 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.127 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.737 ' C ' HD12 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -120.05 17.79 12.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.737 HD12 ' C ' ' A' ' 48' ' ' LEU . 8.3 mp -123.14 -107.47 0.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 116.993 -1.479 . . . . 0.0 109.34 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.857 HG23 HG23 ' A' ' 2' ' ' VAL . 29.9 m . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.857 HG23 HG23 ' A' ' 1' ' ' VAL . 5.5 t 60.26 160.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.439 ' O ' ' NE2' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -57.36 -160.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.999 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.54 ' O ' ' CD2' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -166.55 -44.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 109.654 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.659 ' CE1' ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER 177.63 161.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 111.035 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.588 HD22 ' HB ' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -145.97 -174.2 4.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.52 159.52 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 0.0 109.29 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.415 ' SG ' ' C ' ' A' ' 21' ' ' CYS . 7.8 p -122.46 98.78 43.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 0.0 108.308 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 178.9 6.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.53 1.805 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -91.26 -63.34 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 13' ' ' THR . 60.1 p 35.98 35.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.027 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.595 ' O ' HG22 ' A' ' 13' ' ' THR . 34.3 m170 48.98 -93.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.573 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 12' ' ' HIS . 6.8 t 47.52 21.27 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.417 ' C ' HH11 ' A' ' 42' ' ' ARG . 14.0 mt-30 66.28 55.95 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.345 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -83.55 -155.21 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.176 . . . . 0.0 110.994 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.447 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -110.24 125.27 52.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 0.0 108.32 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.591 ' CD1' ' CD ' ' A' ' 44' ' ' GLU . 0.4 OUTLIER -60.36 -24.13 64.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 111.031 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.596 ' CD2' ' OH ' ' A' ' 38' ' ' TYR . 1.7 t-160 -164.65 72.46 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.589 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.467 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -153.24 -170.6 19.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.421 1.075 . . . . 0.0 111.06 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.488 HG23 ' NE2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -78.27 158.87 28.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 110.391 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.491 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 24.2 p -138.3 145.73 41.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 108.292 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -156.27 120.07 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.541 ' C ' ' CE1' ' A' ' 5' ' ' PHE . 6.5 t80 -109.48 101.25 10.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.172 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.659 ' N ' ' CE1' ' A' ' 5' ' ' PHE . 0.4 OUTLIER -66.61 78.66 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.369 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.588 ' HB ' HD22 ' A' ' 6' ' ' ASN . 0.3 OUTLIER -39.81 -48.12 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.467 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 27.0 mt-30 -37.19 -45.85 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.318 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.556 ' O ' ' C ' ' A' ' 28' ' ' ASP . 5.3 mt-10 -122.76 24.88 8.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.556 ' C ' ' O ' ' A' ' 27' ' ' GLU . 15.6 p-10 27.62 46.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -102.78 107.29 54.0 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.66 6.16 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.583 1.833 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' A' ' 22' ' ' ARG . . . -148.1 117.31 6.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -106.09 176.19 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 108.249 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 34' ' ' CYS . 42.5 t -140.3 154.09 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.456 ' O ' HG12 ' A' ' 33' ' ' VAL . 19.6 t -73.51 166.97 22.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.441 1.088 . . . . 0.0 108.312 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.488 ' NE2' HG23 ' A' ' 20' ' ' THR . 0.0 OUTLIER -118.3 97.43 5.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.664 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 35' ' ' HIS . 1.3 t -35.73 124.53 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.056 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.06 0.39 6.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.596 ' OH ' ' CD2' ' A' ' 18' ' ' HIS . 36.4 m-85 -114.43 -168.12 1.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.556 ' CG2' ' N ' ' A' ' 47' ' ' ASP . 2.0 t -131.71 -72.12 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -32.8 148.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.471 1.107 . . . . 0.0 111.08 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.93 -62.86 1.36 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 0.786 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.514 ' CG ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -61.65 -18.76 60.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.403 1.065 . . . . 0.0 110.312 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 42' ' ' ARG . 3.8 m 87.93 43.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.483 1.114 . . . . 0.0 108.291 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.591 ' CD ' ' CD1' ' A' ' 17' ' ' PHE . 3.6 tp10 -87.8 -36.56 17.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.392 1.058 . . . . 0.0 110.338 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -93.81 158.32 15.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.61 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 47' ' ' ASP . . . -123.45 109.42 13.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.556 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 5.6 t70 54.88 168.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.463 ' CD1' HG11 ' A' ' 39' ' ' VAL . 1.0 OUTLIER -90.87 19.53 5.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.389 1.056 . . . . 0.0 109.263 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.436 ' N ' ' OD2' ' A' ' 47' ' ' ASP . 0.3 OUTLIER 59.96 69.19 0.72 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.326 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.655 HG22 ' N ' ' A' ' 2' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.655 ' N ' HG22 ' A' ' 1' ' ' VAL . 18.0 m -72.8 -34.14 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.96 116.9 1.18 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.108 . . . . 0.0 110.009 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.613 ' CD2' ' OD1' ' A' ' 6' ' ' ASN . 6.3 t60 -128.33 -65.65 0.89 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.543 1.152 . . . . 0.0 109.6 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.58 ' CE1' ' HA ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER 61.0 133.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.613 ' OD1' ' CD2' ' A' ' 4' ' ' HIS . 35.5 m120 -148.57 139.75 23.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 0.1 OUTLIER 44.33 -167.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.355 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -175.08 138.96 0.6 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 108.24 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.469 ' HG2' ' CB ' ' A' ' 13' ' ' THR . 18.2 Cg_endo -75.0 -173.66 1.65 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.517 1.798 . . . . 0.0 110.962 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' HIS . 25.2 t0 -135.41 -48.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 12' ' ' HIS . 12.4 t -62.09 79.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.57 1.169 . . . . 0.0 109.957 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.718 ' C ' HG22 ' A' ' 13' ' ' THR . 12.2 m-70 61.47 129.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.578 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.718 HG22 ' C ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER 166.58 -72.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.431 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.636 ' H ' HG23 ' A' ' 13' ' ' THR . 3.7 pm0 -100.1 -16.38 17.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.61 ' CD2' ' O ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER 42.73 100.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.976 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.273 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -163.71 128.76 2.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.175 . . . . 0.0 108.336 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.469 ' CB ' ' HA ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -91.76 -10.77 38.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.614 ' CD2' ' O ' ' A' ' 43' ' ' CYS . 0.8 OUTLIER -170.62 82.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.538 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.92 162.65 36.43 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.437 1.085 . . . . 0.0 110.978 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.505 ' CB ' HH21 ' A' ' 22' ' ' ARG . 0.1 OUTLIER -75.79 120.61 21.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 0.758 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.453 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 22.6 p -80.82 135.64 35.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 108.29 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.636 ' HD2' HG23 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -150.89 100.63 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 28' ' ' ASP . 71.9 t80 -99.79 107.03 18.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -68.9 77.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -42.77 -40.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.404 1.065 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.46 ' CG ' ' HB3' ' A' ' 4' ' ' HIS . 2.7 mm-40 -50.4 -40.3 49.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 24' ' ' LEU . 3.8 mm-40 -112.8 9.72 19.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER 37.19 45.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.51 ' O ' HD12 ' A' ' 24' ' ' LEU . 4.2 mtmt -121.11 130.62 24.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 29' ' ' LYS . 18.0 Cg_endo -75.03 134.6 17.96 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.52 1.8 . . . . 0.0 110.973 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -160.46 101.97 1.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.273 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 32.0 p -110.21 125.51 53.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 108.269 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.636 HG23 ' HD2' ' A' ' 22' ' ' ARG . 55.8 t -78.81 109.75 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 33' ' ' VAL . 1.3 m -40.06 157.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.129 . . . . 0.0 108.25 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.529 ' HB2' ' O ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -103.42 97.9 7.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.606 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 35' ' ' HIS . 7.0 p -37.59 153.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.985 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.86 39.3 4.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.531 ' CA ' ' HA ' ' A' ' 46' ' ' ALA . 3.0 p90 -155.48 -146.43 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 0.75 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.613 HG12 ' N ' ' A' ' 40' ' ' GLY . 66.6 t -105.38 -111.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.613 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -166.44 -136.17 1.98 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.6 1.188 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 74.96 -84.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 0.76 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -138.95 14.02 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.614 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.1 OUTLIER 75.42 47.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 108.237 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.469 ' HA ' ' CB ' ' A' ' 17' ' ' PHE . 7.4 pt-20 -117.46 -33.02 4.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -103.23 145.05 30.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.57 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.531 ' HA ' ' CA ' ' A' ' 38' ' ' TYR . . . -138.54 118.12 13.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.41 ' N ' HG23 ' A' ' 39' ' ' VAL . 20.9 t70 -51.71 159.23 0.82 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.07 HD11 ' HB2' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -118.13 -5.31 10.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.696 ' N ' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER 70.94 78.05 0.18 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 1.07 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 117.057 -1.449 . . . . 0.0 109.233 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.824 HG12 HG23 ' A' ' 2' ' ' VAL . 72.9 t . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.824 HG23 HG12 ' A' ' 1' ' ' VAL . 2.8 t 85.33 -44.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.635 ' O ' ' CE2' ' A' ' 5' ' ' PHE . 31.2 t -40.1 95.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.635 ' O ' ' CD1' ' A' ' 5' ' ' PHE . 6.8 t60 43.39 81.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.572 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.635 ' CD1' ' O ' ' A' ' 4' ' ' HIS . 29.6 m-85 -156.09 48.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 8' ' ' CYS . 18.2 m-80 -134.03 -104.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.364 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' ASN . 20.6 m-20 39.09 30.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.275 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.512 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -49.2 113.23 2.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 108.267 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 18.3 Cg_endo -74.96 -170.89 0.84 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.548 1.815 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 12' ' ' HIS . 5.0 m-20 77.95 -2.44 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.591 ' C ' ' CG ' ' A' ' 12' ' ' HIS . 11.4 t 36.81 33.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.976 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.591 ' CG ' ' C ' ' A' ' 11' ' ' SER . 0.0 OUTLIER 60.97 115.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.608 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 14' ' ' GLN . 4.4 t -137.56 -50.2 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.433 ' N ' HG23 ' A' ' 13' ' ' THR . 69.5 mt-30 -143.29 60.27 1.4 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -133.98 -79.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 111.064 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -129.66 114.48 16.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 108.309 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -81.11 -11.99 59.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.624 ' CD2' ' O ' ' A' ' 18' ' ' HIS . 33.5 p-80 -155.68 64.46 0.6 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.444 1.09 . . . . 0.0 109.601 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -164.84 175.65 40.76 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -77.81 168.19 20.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.536 0.786 . . . . 0.0 110.391 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -133.93 138.69 45.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 108.324 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 31' ' ' ALA . 11.9 ttt180 -149.32 138.27 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.725 ' HE2' HG23 ' A' ' 25' ' ' VAL . 17.4 t80 -140.45 109.28 6.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 111.048 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.684 HD23 ' CG ' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -66.67 91.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.725 HG23 ' HE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -49.93 -43.27 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.248 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.684 ' CG ' HD23 ' A' ' 24' ' ' LEU . 3.0 pt20 -56.02 -36.99 68.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 28' ' ' ASP . 2.3 mt-10 -101.45 4.04 40.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.62 ' HA ' ' CZ ' ' A' ' 23' ' ' PHE . 19.8 m-20 36.69 40.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.432 ' CE ' ' HB3' ' A' ' 27' ' ' GLU . 12.5 ptpt -123.08 125.48 26.24 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 143.5 29.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.485 1.782 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -162.24 93.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -89.79 140.66 29.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 108.264 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 20' ' ' THR . 97.4 t -103.62 153.64 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.475 ' SG ' ' OH ' ' A' ' 38' ' ' TYR . 1.3 m -77.13 -169.32 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.588 1.18 . . . . 0.0 108.271 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -122.24 -88.44 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.612 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 1.5 m 159.3 160.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.957 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.72 23.95 51.43 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.556 ' CG ' ' NE2' ' A' ' 18' ' ' HIS . 11.2 p90 -135.54 -147.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 111.075 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 45' ' ' HIS . 2.0 m -100.2 -107.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.374 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.526 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -161.84 -140.47 2.88 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.044 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 73.01 -86.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 0.779 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -148.25 21.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.51 ' C ' ' CE1' ' A' ' 18' ' ' HIS . 95.1 m 70.72 39.62 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 108.341 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -84.2 -29.96 26.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.779 ' O ' HG22 ' A' ' 39' ' ' VAL . 2.1 m80 -137.14 164.78 27.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.596 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.466 ' HA ' ' HB2' ' A' ' 38' ' ' TYR . . . -145.29 130.93 18.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.73 31.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.491 ' C ' HD12 ' A' ' 49' ' ' LEU . 0.4 OUTLIER 52.48 -156.96 0.15 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.491 HD12 ' C ' ' A' ' 48' ' ' LEU . 5.3 mp -121.82 -107.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 116.979 -1.486 . . . . 0.0 109.259 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.601 HG11 ' OE1' ' A' ' 26' ' ' GLN . 74.4 t 64.36 -88.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.451 ' O ' ' HB3' ' A' ' 4' ' ' HIS . 0.2 OUTLIER 163.38 -170.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.942 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.646 ' O ' ' CG ' ' A' ' 5' ' ' PHE . 7.3 t-160 71.39 -103.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.573 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.646 ' CG ' ' O ' ' A' ' 4' ' ' HIS . 18.4 p90 43.64 -171.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.518 ' O ' ' CB ' ' A' ' 7' ' ' ASP . 0.9 OUTLIER -150.38 19.07 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 1.4 m-20 82.96 151.64 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.184 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 14.9 p -139.17 140.39 26.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 108.334 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.439 ' O ' ' OD1' ' A' ' 10' ' ' ASP . 18.3 Cg_endo -75.0 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.555 1.818 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.516 ' CG ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER 61.58 14.63 6.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.507 ' C ' ' O ' ' A' ' 10' ' ' ASP . 80.4 p -30.63 -41.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.5 OUTLIER -132.41 99.52 4.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.607 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 m -157.36 -67.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.403 1.065 . . . . 0.0 110.437 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -161.24 30.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.59 1.181 . . . . 0.0 110.336 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -117.1 -34.83 4.25 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.403 1.064 . . . . 0.0 111.011 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.143 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -160.95 129.59 4.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 108.301 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.492 ' O ' ' CB ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -44.24 -26.36 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.563 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 0.7 OUTLIER 162.81 85.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.565 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.462 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -138.0 -168.25 11.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.456 1.098 . . . . 0.0 111.032 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.849 ' HB ' HG12 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -95.11 104.51 16.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 0.794 . . . . 0.0 110.422 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 1.184 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 42.4 t -74.03 140.23 45.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 108.285 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -161.11 121.62 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.629 ' HE2' HG23 ' A' ' 25' ' ' VAL . 4.6 t80 -96.02 113.75 25.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.89 ' CB ' HE21 ' A' ' 26' ' ' GLN . 0.0 OUTLIER -83.22 104.92 13.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.629 HG23 ' HE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -61.05 -38.61 79.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.89 HE21 ' CB ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -34.2 -50.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' CG ' ' HB2' ' A' ' 29' ' ' LYS . 1.2 pm0 -118.49 1.23 11.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 24' ' ' LEU . 10.6 t70 53.14 56.64 7.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 26.9 mttt -126.7 116.04 22.63 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 15' ' ' PHE . 18.2 Cg_endo -75.01 125.08 9.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -156.97 154.19 29.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.143 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -107.54 -171.26 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 108.292 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.931 ' O ' HG13 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -147.09 56.24 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.245 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.514 ' O ' ' O ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER 34.85 -154.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 108.366 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.611 ' HE2' HG23 ' A' ' 20' ' ' THR . 0.0 OUTLIER -162.54 40.29 0.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.565 1.166 . . . . 0.0 109.626 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 35' ' ' HIS . 2.1 p 48.79 -179.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 48.49 22.23 2.45 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.105 . . . . 0.0 110.978 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.602 ' CD2' ' SG ' ' A' ' 43' ' ' CYS . 3.6 m-85 -129.25 -167.22 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 0.758 . . . . 0.0 110.94 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.729 HG12 ' H ' ' A' ' 40' ' ' GLY . 1.6 t -148.25 -166.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.729 ' H ' HG12 ' A' ' 39' ' ' VAL . . . 71.34 -163.43 54.12 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.413 1.07 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.4 -24.8 10.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.588 0.816 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.62 11.2 16.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 110.283 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.602 ' SG ' ' CD2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER 77.1 17.73 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 108.342 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -58.61 -44.01 89.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.75 173.41 7.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 38' ' ' TYR . . . -153.36 120.59 5.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -43.89 157.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.83 17.85 7.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -124.31 51.85 1.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 117.005 -1.474 . . . . 0.0 109.316 -179.925 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.489 HG23 HG22 ' A' ' 2' ' ' VAL . 4.2 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.489 HG22 HG23 ' A' ' 1' ' ' VAL . 0.2 OUTLIER -129.17 -101.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.424 ' H ' HG23 ' A' ' 2' ' ' VAL . 81.1 p 51.55 -179.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.408 ' O ' HG12 ' A' ' 25' ' ' VAL . 0.2 OUTLIER 61.65 50.41 4.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.608 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.571 ' CE2' ' HG ' ' A' ' 24' ' ' LEU . 1.1 t80 -179.14 64.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 6' ' ' ASN . 0.3 OUTLIER -138.51 -75.96 0.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' ASN . 0.6 OUTLIER -38.63 114.36 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 1.6 p -133.99 119.19 14.54 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 108.282 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.537 ' HD2' HG21 ' A' ' 13' ' ' THR . 18.4 Cg_endo -74.95 170.86 19.47 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.542 1.811 . . . . 0.0 111.027 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 12' ' ' HIS . 0.7 OUTLIER -77.16 -65.42 0.95 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.9 t -46.49 96.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.977 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.684 ' O ' HG22 ' A' ' 13' ' ' THR . 0.0 OUTLIER 74.69 156.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.618 1.199 . . . . 0.0 109.636 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.684 HG22 ' O ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER 86.67 -23.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -104.39 21.31 16.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.283 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.593 ' CZ ' ' HA ' ' A' ' 12' ' ' HIS . 22.6 m-85 -63.25 74.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.097 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -162.27 114.8 1.7 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 108.275 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -72.4 -13.22 61.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.432 ' O ' ' HB2' ' A' ' 35' ' ' HIS . 3.6 t-160 -163.57 71.54 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 109.582 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.472 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -168.93 165.16 38.7 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -72.36 163.94 27.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 0.805 . . . . 0.0 110.413 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.61 ' SG ' HG23 ' A' ' 13' ' ' THR . 3.7 t -121.6 139.3 53.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 108.275 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.562 ' HG2' ' CD1' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -152.57 147.85 26.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 110.349 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.613 ' CE2' ' HA ' ' A' ' 28' ' ' ASP . 57.3 t80 -133.42 115.13 14.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.646 HD22 ' HB2' ' A' ' 26' ' ' GLN . 0.4 OUTLIER -67.19 72.21 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.353 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -39.84 -43.61 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.646 ' HB2' HD22 ' A' ' 24' ' ' LEU . 27.4 mt-30 -46.85 -43.99 19.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -113.99 15.37 18.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.285 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.613 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 7.2 p-10 36.35 47.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -118.42 141.76 30.24 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.587 1.179 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.581 ' HG3' ' CD2' ' A' ' 12' ' ' HIS . 18.3 Cg_endo -75.06 140.3 25.12 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.514 1.797 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -162.74 100.63 1.02 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.472 1.108 . . . . 0.0 109.256 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.097 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -99.4 139.59 34.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 108.32 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' THR . 39.6 t -92.99 159.69 2.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.454 ' SG ' ' CB ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -68.95 -155.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 108.309 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.546 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -142.89 69.69 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.569 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.2 t 89.59 66.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.095 . . . . 0.0 110.013 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 40.99 39.61 2.05 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.092 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.997 ' CE1' ' HB2' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -75.6 163.93 26.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 110.889 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.622 HG12 ' N ' ' A' ' 40' ' ' GLY . 96.3 t -135.52 -110.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.622 ' N ' HG12 ' A' ' 39' ' ' VAL . . . 58.21 -136.52 50.88 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.458 1.099 . . . . 0.0 110.95 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.45 ' O ' ' CB ' ' A' ' 42' ' ' ARG . . . -117.24 101.28 8.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.478 0.752 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.565 HH21 ' HB3' ' A' ' 15' ' ' PHE . 3.4 ttt180 80.48 29.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 0.0 110.317 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 42' ' ' ARG . 8.3 m 67.98 39.68 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 108.281 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -87.56 -43.54 11.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.544 1.153 . . . . 0.0 110.323 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.419 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 6.8 m80 -104.94 -176.17 3.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.997 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . . . -132.05 113.5 13.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.597 ' HB2' HG21 ' A' ' 39' ' ' VAL . 14.1 t70 -40.27 157.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 tp 78.35 158.78 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.11 -107.43 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 116.988 -1.482 . . . . 0.0 109.348 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.663 ' O ' HG13 ' A' ' 1' ' ' VAL . 5.9 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 3' ' ' SER . 40.2 t -67.25 160.65 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.401 ' N ' HG12 ' A' ' 2' ' ' VAL . 64.3 p -40.92 161.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.993 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.777 ' CG ' HE21 ' A' ' 26' ' ' GLN . 0.0 OUTLIER -146.43 152.15 38.58 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 109.61 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' A' ' 6' ' ' ASN . 3.3 t80 57.17 157.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.6 ' O ' ' CE2' ' A' ' 5' ' ' PHE . 15.0 m120 -120.1 -91.67 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.408 ' HA ' ' CZ ' ' A' ' 5' ' ' PHE . 0.7 OUTLIER -164.8 27.76 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 56.71 93.2 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 108.32 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -178.89 4.46 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.478 1.778 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 12' ' ' HIS . 1.6 p30 -54.96 -19.74 7.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.46 ' C ' ' CD2' ' A' ' 12' ' ' HIS . 56.6 m -37.2 -32.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.509 ' CE1' ' HB3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -151.43 84.93 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.552 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.4 t -81.66 -9.71 59.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.411 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 4.7 mt-30 -118.36 -115.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.417 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 2.3 t80 65.21 5.43 3.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.133 ' SG ' ' SG ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -162.51 172.18 15.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 108.318 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 44' ' ' GLU . 5.1 t80 -85.64 -57.89 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.763 ' CD2' ' CZ ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -164.52 64.55 0.14 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.45 1.094 . . . . 0.0 109.642 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' HA2' ' HB2' ' A' ' 35' ' ' HIS . . . -126.65 -163.55 11.52 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.775 ' CB ' HG22 ' A' ' 33' ' ' VAL . 1.7 m -79.47 -175.12 4.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.512 ' H ' HG22 ' A' ' 20' ' ' THR . 0.5 OUTLIER -142.21 147.15 36.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 108.355 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -162.39 116.71 1.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.403 ' CG ' ' HE1' ' A' ' 12' ' ' HIS . 2.0 t80 -117.24 103.33 10.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' ASP . 1.2 tp -77.31 77.36 3.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.413 1.071 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -48.47 -46.52 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.777 HE21 ' CG ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -38.73 -44.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 28' ' ' ASP . 6.5 mm-40 -120.56 22.05 11.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 27' ' ' GLU . 60.5 t0 35.51 71.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -122.61 86.2 49.13 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.372 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.509 ' HB3' ' CE1' ' A' ' 12' ' ' HIS . 18.4 Cg_endo -74.97 113.14 3.72 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.455 1.766 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . -161.83 151.4 16.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.133 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -109.01 -178.8 3.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 108.333 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.775 HG22 ' CB ' ' A' ' 20' ' ' THR . 1.8 m -130.33 164.61 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.24 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.459 ' N ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -75.86 166.86 22.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 108.245 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.405 ' HB2' ' HH ' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -118.04 15.28 14.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.613 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m 60.15 153.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 109.939 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.85 -10.15 60.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.763 ' CZ ' ' CD2' ' A' ' 18' ' ' HIS . 3.3 p90 -161.98 -170.52 2.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 111.037 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.65 HG23 ' N ' ' A' ' 40' ' ' GLY . 15.6 m -155.32 -138.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.188 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.65 ' N ' HG23 ' A' ' 39' ' ' VAL . . . 113.55 18.56 6.99 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 79.84 -55.29 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 0.774 . . . . 0.0 109.26 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.452 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -103.21 -4.37 24.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 19.0 m 84.2 69.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 108.22 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 17.3 pt-20 -132.95 -41.79 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.216 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.409 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 12.8 m-70 -92.38 150.15 20.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.442 ' HA ' ' HB2' ' A' ' 38' ' ' TYR . . . -117.13 112.5 20.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 46' ' ' ALA . 12.2 t70 -41.14 161.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.358 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.597 HD13 ' H ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -167.31 -114.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.597 ' H ' HD13 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -121.9 50.54 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 CA-C-O 117.01 -1.471 . . . . 0.0 109.327 -179.943 . . . . . . . . 0 0 . 1 stop_ save_