data_3leu_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 3leu _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 CA--C 1.51 -0.56 0 CA-C-O 121.464 0.649 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.11 -3.95 78.35 Favored Glycine 0 N--CA 1.459 0.227 0 O-C-N 121.359 -0.838 . . . . 0.0 112.618 -172.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.946 HG23 HG13 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -43.53 -35.17 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 C-N-CA 124.143 0.977 . . . . 0.0 113.324 -174.388 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.9 t60 59.02 77.74 0.29 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.94 0.876 . . . . 0.0 110.731 -173.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.74 117.49 2.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.905 0.86 . . . . 0.0 110.914 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 77.2 p -100.64 39.46 1.37 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.936 0.874 . . . . 0.0 111.037 -175.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 12' ' ' SER . 2.2 ttmt 53.52 40.55 31.55 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.975 0.893 . . . . 0.0 111.02 176.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.434 ' HB3' ' O ' ' A' ' 11' ' ' LYS . 93.6 p 174.63 42.97 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.026 0.917 . . . . 0.0 111.082 -175.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.34 129.34 4.04 Favored Glycine 0 C--N 1.32 -0.347 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.644 ' O ' HG13 ' A' ' 16' ' ' VAL . 0.5 OUTLIER -93.0 -83.94 0.3 Allowed 'General case' 0 C--N 1.32 -0.697 0 O-C-N 122.028 -0.689 . . . . 0.0 111.194 177.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.824 ' HA ' HG22 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -33.97 -43.17 0.14 Allowed 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 124.635 1.174 . . . . 0.0 113.478 -173.357 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.946 HG13 HG23 ' A' ' 7' ' ' VAL . 5.9 p 47.76 70.41 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.379 0.609 . . . . 0.0 112.636 173.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.997 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 1.8 t30 -79.53 140.55 37.2 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.406 -0.809 . . . . 0.0 109.29 172.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -80.94 -35.65 31.99 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.648 0.737 . . . . 0.0 111.361 -173.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.04 -38.86 39.25 Favored Glycine 0 N--CA 1.462 0.394 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 174.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.997 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -74.11 -13.32 60.81 Favored 'General case' 0 C--O 1.243 0.744 0 O-C-N 122.115 -0.638 . . . . 0.0 112.166 174.618 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.476 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . . . -82.76 -22.29 34.39 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.287 -0.883 . . . . 0.0 111.084 174.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -82.57 -28.81 30.69 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.526 -0.734 . . . . 0.0 109.993 171.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.431 ' HA ' ' HB ' ' A' ' 26' ' ' VAL . 1.2 m -79.05 -27.54 43.12 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.846 0.831 . . . . 0.0 110.236 171.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.476 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . . . -84.95 -26.34 27.26 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.619 0.723 . . . . 0.0 110.958 173.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.33 -41.49 30.69 Favored Glycine 0 N--CA 1.467 0.704 0 N-CA-C 108.405 -1.878 . . . . 0.0 108.405 173.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.511 HG13 ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -48.51 -64.12 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 CA-C-O 123.331 1.539 . . . . 0.0 110.654 171.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.511 ' N ' HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -67.87 -26.82 66.21 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.042 -174.606 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -42.23 75.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.109 0.957 . . . . 0.0 110.846 174.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.721 HD21 ' N ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.321 -0.66 0 CA-C-O 122.006 0.908 . . . . 0.0 110.934 174.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 t30 . . . . . 0 CA--C 1.51 -0.57 0 CA-C-O 121.997 0.903 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.16 -25.19 73.47 Favored Glycine 0 C--O 1.241 0.56 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.607 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.55 ' HA ' HG22 ' A' ' 16' ' ' VAL . 38.2 t -52.75 -43.62 45.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 121.53 -0.983 . . . . 0.0 111.391 -175.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 60.36 65.24 1.09 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.986 0.898 . . . . 0.0 110.983 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.6 t -101.71 89.41 3.68 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.794 0.807 . . . . 0.0 110.949 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.7 p -145.1 44.11 1.33 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.681 0.753 . . . . 0.0 111.49 -174.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.685 ' O ' ' HB3' ' A' ' 12' ' ' SER . 0.0 OUTLIER -143.36 29.06 1.45 Allowed 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.603 -0.685 . . . . 0.0 111.778 174.558 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.685 ' HB3' ' O ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER 88.11 -38.86 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 124.62 1.168 . . . . 0.0 110.946 -174.522 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.84 160.54 24.9 Favored Glycine 0 N--CA 1.464 0.514 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 174.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 15' ' ' SER . 4.0 m -82.47 -135.72 0.04 OUTLIER 'General case' 0 C--O 1.246 0.883 0 O-C-N 121.73 -0.865 . . . . 0.0 110.093 -174.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.475 ' HB2' ' O ' ' A' ' 14' ' ' CYS . 7.6 t 177.49 -36.67 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.786 0 O-C-N 121.1 -1.0 . . . . 0.0 111.342 -174.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.55 HG22 ' HA ' ' A' ' 7' ' ' VAL . 67.5 t -58.06 98.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.854 0.835 . . . . 0.0 111.18 -174.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.941 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 8.1 t-20 -74.36 146.2 43.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.65 0.738 . . . . 0.0 110.61 174.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.7 m95 -98.28 -28.89 13.48 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.716 0.769 . . . . 0.0 111.341 -174.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.68 -43.23 12.15 Favored Glycine 0 N--CA 1.462 0.382 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 174.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.941 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 2.3 mm-40 -67.98 -21.86 65.04 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 122.125 -0.632 . . . . 0.0 111.573 174.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.57 ' HB1' ' O ' ' A' ' 17' ' ' ASN . . . -78.25 -22.46 48.34 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.453 -0.779 . . . . 0.0 111.764 176.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -79.73 -31.13 41.09 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.412 -0.805 . . . . 0.0 110.063 173.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.597 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 1.5 t -78.16 -27.05 48.01 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.702 0.763 . . . . 0.0 110.403 172.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.497 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . . . -85.55 -23.07 27.82 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.312 0.577 . . . . 0.0 111.626 174.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.5 -45.17 7.5 Favored Glycine 0 N--CA 1.466 0.689 0 N-CA-C 109.049 -1.62 . . . . 0.0 109.049 174.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.404 ' HA ' ' HG ' ' A' ' 29' ' ' LEU . 3.0 t -54.89 -40.18 51.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 122.906 1.336 . . . . 0.0 110.176 172.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.597 ' HB2' ' O ' ' A' ' 23' ' ' SER . 6.5 t-80 -61.49 -40.6 95.16 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.99 174.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.12 -51.26 66.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.07 0.938 . . . . 0.0 110.945 177.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.415 HD21 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.61 0 CA-C-O 121.56 0.695 . . . . 0.0 110.997 174.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.511 -0.53 0 CA-C-O 121.729 0.776 . . . . 0.0 111.444 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.53 -13.49 58.65 Favored Glycine 0 C--O 1.242 0.62 0 O-C-N 121.752 -0.592 . . . . 0.0 113.931 -175.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.412 HG11 ' O ' ' A' ' 7' ' ' VAL . 48.7 t -98.36 52.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 O-C-N 121.21 -1.17 . . . . 0.0 110.957 -174.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -94.38 54.52 1.85 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.682 1.23 . . . . 0.0 110.67 174.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 64.2 m -44.65 103.6 0.04 OUTLIER 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.734 174.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 p -73.87 -96.75 0.01 OUTLIER 'General case' 0 C--O 1.242 0.705 0 O-C-N 121.684 -0.635 . . . . 0.0 111.509 -173.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.54 25.16 1.86 Allowed 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.275 -0.89 . . . . 0.0 111.679 -174.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.4 t -157.74 32.37 0.26 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.176 0.989 . . . . 0.0 110.66 -174.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.71 -148.74 18.93 Favored Glycine 0 C--N 1.321 -0.293 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -174.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.9 m -129.17 -71.55 0.62 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.008 0.909 . . . . 0.0 110.984 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.51 43.56 30.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.048 0.928 . . . . 0.0 110.996 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.75 115.56 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 122.037 0.922 . . . . 0.0 110.964 -174.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.791 ' HB3' ' HB3' ' A' ' 20' ' ' GLU . 57.1 t-20 -96.29 139.14 32.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.958 0.885 . . . . 0.0 110.974 176.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 40.9 m95 -87.99 -41.09 13.37 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.84 0.828 . . . . 0.0 111.178 -174.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.44 -41.87 83.65 Favored Glycine 0 C--N 1.32 -0.359 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 174.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.791 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . 2.0 tp10 -64.27 -31.73 73.04 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.968 0.89 . . . . 0.0 111.004 174.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' A' ' 17' ' ' ASN . . . -73.34 -21.46 60.54 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.225 0.536 . . . . 0.0 111.625 178.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -79.15 -30.48 43.62 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 121.451 -0.781 . . . . 0.0 110.107 173.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.816 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 4.2 t -77.34 -27.17 52.64 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.649 0.738 . . . . 0.0 110.349 172.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.448 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . . . -84.88 -24.19 28.61 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.329 0.585 . . . . 0.0 111.471 174.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.447 ' HA2' ' HB2' ' A' ' 28' ' ' ARG . . . -82.31 -42.02 8.88 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 176.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.2 t -60.06 -38.09 75.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 122.988 1.375 . . . . 0.0 110.352 171.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.816 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.6 OUTLIER -77.13 -17.03 58.93 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.891 174.846 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.447 ' HB2' ' HA2' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -77.8 -45.61 23.99 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.199 -0.938 . . . . 0.0 110.98 173.357 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.504 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.32 -0.688 0 CA-C-O 121.927 0.87 . . . . 0.0 110.997 177.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m120 . . . . . 0 CA--C 1.51 -0.589 0 CA-C-O 121.433 0.635 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.75 34.91 0.3 Allowed Glycine 0 N--CA 1.461 0.365 0 O-C-N 121.429 -0.794 . . . . 0.0 111.311 -174.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.519 HG13 ' HB3' ' A' ' 14' ' ' CYS . 2.6 t -57.96 -22.2 18.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 O-C-N 121.881 -0.776 . . . . 0.0 111.465 174.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.3 t60 68.75 65.26 0.31 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.095 0.95 . . . . 0.0 110.783 174.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.2 m -90.35 -177.87 5.21 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.073 0.94 . . . . 0.0 110.988 174.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -161.08 -56.87 0.05 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.965 0.888 . . . . 0.0 111.003 174.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -117.34 -103.84 0.41 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.712 0.768 . . . . 0.0 109.99 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 p -91.03 -38.42 12.82 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.853 0.835 . . . . 0.0 111.193 -174.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.66 177.04 20.41 Favored Glycine 0 C--N 1.32 -0.326 0 CA-C-O 122.074 0.819 . . . . 0.0 111.283 -174.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.519 ' HB3' HG13 ' A' ' 7' ' ' VAL . 95.3 m -129.01 -68.73 0.73 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.116 0.96 . . . . 0.0 110.996 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m 63.94 85.38 0.14 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.002 0.906 . . . . 0.0 110.978 175.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.7 p -107.19 65.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.99 0.9 . . . . 0.0 111.048 -175.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.931 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 43.7 t-20 -55.03 119.41 5.41 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.893 0.854 . . . . 0.0 110.853 174.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -69.59 -35.7 75.55 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.909 0.861 . . . . 0.0 111.151 -174.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.33 -37.12 92.55 Favored Glycine 0 C--N 1.32 -0.314 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 175.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.931 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -66.24 -24.92 66.68 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 122.021 -0.694 . . . . 0.0 111.609 176.306 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.63 -29.03 59.03 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.465 -0.772 . . . . 0.0 111.168 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -75.83 -27.41 57.86 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.62 -0.675 . . . . 0.0 110.3 173.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.532 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -78.23 -27.8 47.77 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.923 0.868 . . . . 0.0 110.355 172.248 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.52 -23.37 34.63 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.667 174.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.52 ' O ' ' HB3' ' A' ' 28' ' ' ARG . . . -83.76 -44.04 6.99 Favored Glycine 0 N--CA 1.466 0.673 0 N-CA-C 109.169 -1.573 . . . . 0.0 109.169 174.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.2 t -55.66 -36.81 43.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 122.033 0.921 . . . . 0.0 110.487 172.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.532 ' HB2' ' O ' ' A' ' 23' ' ' SER . 41.0 t-80 -75.45 -31.89 60.45 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.988 0.899 . . . . 0.0 110.928 177.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.52 ' HB3' ' O ' ' A' ' 25' ' ' GLY . 2.5 ttm180 -54.44 -44.35 72.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.021 0.915 . . . . 0.0 110.967 174.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.458 HD21 ' N ' ' A' ' 29' ' ' LEU . 2.5 mt . . . . . 0 C--N 1.32 -0.677 0 CA-C-O 121.811 0.815 . . . . 0.0 111.28 174.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 . . . . . 0 CA--C 1.511 -0.55 0 CA-C-O 122.058 0.932 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.61 72.42 0.27 Allowed Glycine 0 C--N 1.32 -0.306 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER -102.77 -35.52 3.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 122.039 0.923 . . . . 0.0 110.996 178.812 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.4 t60 57.56 60.67 2.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.101 0.953 . . . . 0.0 110.947 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -58.38 116.64 3.75 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.235 1.017 . . . . 0.0 110.711 -179.382 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.47 -162.83 0.94 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.046 0.927 . . . . 0.0 111.043 176.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -103.81 38.15 1.89 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.039 0.923 . . . . 0.0 110.93 175.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.72 44.71 0.06 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.105 0.955 . . . . 0.0 110.854 174.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.65 134.94 4.1 Favored Glycine 0 N--CA 1.462 0.386 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 -174.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.646 ' O ' HG23 ' A' ' 7' ' ' VAL . 93.3 m -133.55 -58.35 0.88 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.049 0.928 . . . . 0.0 111.562 -174.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.7 m -85.81 85.97 7.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.236 1.017 . . . . 0.0 111.048 -175.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.509 HG13 HG23 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -79.45 148.96 5.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 122.015 0.912 . . . . 0.0 111.048 177.138 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -94.43 102.17 14.12 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.954 0.883 . . . . 0.0 110.974 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -80.72 -31.92 35.94 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.89 0.852 . . . . 0.0 111.126 -174.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.93 -41.89 95.14 Favored Glycine 0 N--CA 1.461 0.318 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 175.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.65 -33.28 73.68 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.97 0.89 . . . . 0.0 111.009 177.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.59 -25.75 63.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.452 0.644 . . . . 0.0 111.167 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.39 -27.52 59.11 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.55 -0.719 . . . . 0.0 110.322 173.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 t -77.71 -28.32 50.9 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.914 0.864 . . . . 0.0 110.39 172.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.64 -25.17 33.37 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.337 0.589 . . . . 0.0 111.625 174.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.82 -41.92 9.33 Favored Glycine 0 N--CA 1.466 0.641 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 174.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 t -54.02 -41.22 49.05 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.496 0 CA-C-O 122.038 0.923 . . . . 0.0 110.612 172.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -34.6 72.72 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.015 0.912 . . . . 0.0 110.988 177.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.534 ' HB3' HD22 ' A' ' 29' ' ' LEU . 21.4 ttp85 -51.57 -45.2 62.99 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.008 0.908 . . . . 0.0 110.987 175.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.534 HD22 ' HB3' ' A' ' 28' ' ' ARG . 1.6 mt . . . . . 0 C--N 1.32 -0.707 0 CA-C-O 121.926 0.87 . . . . 0.0 111.181 -176.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.558 0 CA-C-O 121.732 0.777 . . . . 0.0 111.669 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.59 77.26 0.02 OUTLIER Glycine 0 C--N 1.32 -0.31 0 CA-C-O 122.018 0.788 . . . . 0.0 111.617 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.679 HG12 ' HB3' ' A' ' 14' ' ' CYS . 2.4 t -89.15 -25.24 5.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 O-C-N 122.027 -0.69 . . . . 0.0 111.185 174.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.7 t60 60.78 59.95 2.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.906 0.86 . . . . 0.0 110.695 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.0 m -47.29 147.75 1.48 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.865 0.84 . . . . 0.0 111.017 174.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.7 p -145.3 -159.65 1.03 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.695 0.759 . . . . 0.0 110.888 178.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.482 ' H ' ' HG3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -99.37 36.76 1.68 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.026 0.917 . . . . 0.0 110.888 174.638 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -136.28 -43.4 0.63 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.073 0.94 . . . . 0.0 110.84 174.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 165.62 159.24 11.46 Favored Glycine 0 C--N 1.32 -0.326 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 174.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.679 ' HB3' HG12 ' A' ' 7' ' ' VAL . 57.7 m -90.8 -140.37 0.16 Allowed 'General case' 0 C--O 1.246 0.911 0 O-C-N 121.961 -0.729 . . . . 0.0 109.816 174.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.75 81.62 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.797 0 O-C-N 121.498 -0.751 . . . . 0.0 111.847 -177.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.542 ' CG1' ' CE2' ' A' ' 18' ' ' TRP . 99.6 t -137.15 91.78 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.687 0.755 . . . . 0.0 112.511 -174.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.453 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 60.9 t30 -83.51 -9.93 58.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.487 0.661 . . . . 0.0 111.96 171.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.542 ' CE2' ' CG1' ' A' ' 16' ' ' VAL . 72.7 m95 58.74 -7.96 0.04 OUTLIER 'General case' 0 C--O 1.249 1.067 0 N-CA-C 117.476 2.399 . . . . 0.0 117.476 -172.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 17' ' ' ASN . . . -105.85 -37.63 2.52 Favored Glycine 0 C--N 1.315 -0.633 0 CA-C-O 123.799 1.777 . . . . 0.0 108.85 171.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.453 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 3.3 mt-10 -79.21 -13.54 59.63 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-N 114.141 -1.029 . . . . 0.0 111.397 172.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.43 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . . . -78.55 -31.08 47.25 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.026 0.917 . . . . 0.0 110.572 173.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -77.02 -29.09 55.2 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.53 0.681 . . . . 0.0 110.217 173.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.816 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -77.9 -27.19 49.5 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.019 0.914 . . . . 0.0 110.336 171.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.43 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . . . -82.75 -23.62 33.9 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.26 0.552 . . . . 0.0 111.679 174.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.435 ' O ' ' HB3' ' A' ' 28' ' ' ARG . . . -83.74 -44.6 6.74 Favored Glycine 0 N--CA 1.466 0.646 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 174.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.4 t -55.69 -37.19 45.52 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 CA-C-O 122.086 0.946 . . . . 0.0 110.553 172.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.816 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -78.46 -30.34 47.38 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.952 0.882 . . . . 0.0 111.016 179.435 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.488 ' HG3' HD21 ' A' ' 29' ' ' LEU . 11.3 tpt180 -56.4 -39.95 73.85 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.996 0.903 . . . . 0.0 110.923 174.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.631 HD21 ' N ' ' A' ' 29' ' ' LEU . 1.3 mt . . . . . 0 C--N 1.32 -0.689 0 CA-C-O 121.712 0.768 . . . . 0.0 111.196 175.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.512 -0.515 0 CA-C-O 122.287 1.041 . . . . 0.0 111.487 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.498 ' O ' HG21 ' A' ' 7' ' ' VAL . . . 143.16 -16.69 2.33 Favored Glycine 0 C--N 1.32 -0.318 0 CA-C-N 115.694 -0.685 . . . . 0.0 114.673 173.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.498 HG21 ' O ' ' A' ' 6' ' ' GLY . 78.8 t -166.37 -61.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 122.462 1.125 . . . . 0.0 110.64 -174.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.8 t60 62.84 85.36 0.13 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 122.059 0.933 . . . . 0.0 111.065 -174.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.448 ' SG ' HG11 ' A' ' 7' ' ' VAL . 19.9 m -118.15 90.55 3.36 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.959 0.885 . . . . 0.0 110.839 174.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.2 m -55.69 -78.2 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.883 0.849 . . . . 0.0 111.262 -174.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.7 -36.85 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.852 1.31 . . . . 0.0 112.914 -174.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.3 t -75.96 -31.99 59.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.596 -1.183 . . . . 0.0 110.941 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 165.18 143.51 3.75 Favored Glycine 0 C--N 1.32 -0.324 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 174.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 95.5 m -65.99 -83.69 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.894 -0.769 . . . . 0.0 110.906 -176.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.7 m 52.91 32.83 13.23 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.887 0.851 . . . . 0.0 111.23 175.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -54.86 124.96 8.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.98 0.895 . . . . 0.0 110.951 -176.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.836 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 13.7 t-20 -81.69 136.66 35.48 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.001 0.905 . . . . 0.0 111.013 177.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -90.13 -28.26 19.07 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.781 0.8 . . . . 0.0 111.325 -174.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.39 -33.62 34.73 Favored Glycine 0 N--CA 1.462 0.37 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 174.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.836 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -74.48 -27.22 60.48 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 122.058 -0.672 . . . . 0.0 111.31 175.364 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.418 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . . . -78.02 -28.42 49.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.566 0.698 . . . . 0.0 111.314 176.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -76.83 -28.55 55.55 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.622 0.725 . . . . 0.0 110.208 173.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.686 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -78.64 -27.7 45.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.784 0.802 . . . . 0.0 110.332 172.442 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.418 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . . . -82.33 -23.81 34.92 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.339 0.59 . . . . 0.0 111.533 174.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.97 -45.08 6.82 Favored Glycine 0 N--CA 1.467 0.719 0 N-CA-C 109.081 -1.607 . . . . 0.0 109.081 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.406 ' HA ' HD13 ' A' ' 29' ' ' LEU . 6.6 t -56.07 -33.27 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 122.515 1.15 . . . . 0.0 110.452 172.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.686 ' HB2' ' O ' ' A' ' 23' ' ' SER . 1.2 t-80 -72.01 -36.71 69.8 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.966 0.889 . . . . 0.0 111.019 174.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.09 -57.62 10.4 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.121 0.962 . . . . 0.0 110.727 176.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.662 0 CA-C-O 122.098 0.952 . . . . 0.0 110.942 174.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 . . . . . 0 CA--C 1.511 -0.538 0 CA-C-O 122.27 1.033 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -148.39 31.54 1.27 Allowed Glycine 0 C--N 1.32 -0.323 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 174.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.679 HG23 ' HB ' ' A' ' 16' ' ' VAL . 48.8 t -99.01 -67.8 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 122.079 0.942 . . . . 0.0 110.884 -174.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.3 t60 60.01 80.04 0.22 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.032 0.92 . . . . 0.0 111.336 174.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.46 117.62 6.42 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.457 0.646 . . . . 0.0 110.605 174.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.83 -85.07 0.57 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.754 0.787 . . . . 0.0 111.945 -173.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.493 ' HG2' ' H ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -96.46 -101.41 0.18 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.826 0.822 . . . . 0.0 110.447 -173.563 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.9 m -47.57 -26.13 1.36 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.931 -174.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.16 -141.48 8.54 Favored Glycine 0 N--CA 1.462 0.373 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 174.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.4 m -94.41 -88.35 0.24 Allowed 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.864 -0.786 . . . . 0.0 110.652 174.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m 48.64 55.98 8.27 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.854 0.835 . . . . 0.0 111.217 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.679 ' HB ' HG23 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -52.93 106.57 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 122.015 0.912 . . . . 0.0 111.174 -174.624 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -51.53 101.44 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.982 0.896 . . . . 0.0 111.005 174.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -64.6 -25.54 68.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.491 0.662 . . . . 0.0 111.416 -174.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.86 -48.74 81.88 Favored Glycine 0 N--CA 1.461 0.321 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 174.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -62.94 -34.31 77.2 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.837 0.827 . . . . 0.0 111.065 -177.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.79 -24.15 61.69 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.444 0.64 . . . . 0.0 111.304 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.461 ' CE1' ' CG2' ' A' ' 26' ' ' VAL . 1.7 t80 -76.13 -28.33 57.39 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.521 -0.737 . . . . 0.0 110.282 173.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.6 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 1.2 t -77.81 -28.43 50.32 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.908 0.861 . . . . 0.0 110.375 172.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.3 -22.49 32.94 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.185 0.517 . . . . 0.0 111.783 174.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.531 ' O ' ' HB2' ' A' ' 28' ' ' ARG . . . -83.84 -43.77 7.07 Favored Glycine 0 N--CA 1.466 0.66 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 174.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.461 ' CG2' ' CE1' ' A' ' 22' ' ' PHE . 4.8 t -56.01 -36.44 44.65 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 CA-C-O 122.236 1.017 . . . . 0.0 110.531 172.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.6 ' HB2' ' O ' ' A' ' 23' ' ' SER . 1.2 t-80 -69.34 -38.42 78.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.012 0.911 . . . . 0.0 110.904 174.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.531 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 12.1 mtp180 -52.48 -52.49 54.12 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.995 0.902 . . . . 0.0 111.002 175.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.583 HD21 ' N ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.32 -0.706 0 CA-C-O 121.793 0.806 . . . . 0.0 111.259 178.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.511 -0.544 0 CA-C-O 122.094 0.95 . . . . 0.0 111.309 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 97.01 26.95 9.81 Favored Glycine 0 C--O 1.242 0.606 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.643 174.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -85.26 -34.54 8.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 O-C-N 121.361 -1.082 . . . . 0.0 110.839 174.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.6 t60 62.52 88.05 0.1 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.054 0.93 . . . . 0.0 111.367 174.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 m -118.48 91.59 3.6 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.534 0.683 . . . . 0.0 110.632 174.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.94 -91.6 0.5 Allowed 'General case' 0 C--N 1.32 -0.684 0 O-C-N 121.649 -0.657 . . . . 0.0 112.148 -173.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.503 ' H ' ' HG3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -107.14 34.91 3.24 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.393 -0.817 . . . . 0.0 112.072 -173.181 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.92 60.56 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.009 0.909 . . . . 0.0 110.983 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.18 -168.6 0.7 Allowed Glycine 0 N--CA 1.464 0.501 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -174.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.0 m -68.35 -75.94 0.1 Allowed 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.664 -0.903 . . . . 0.0 110.846 174.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.98 71.33 0.5 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.012 0.91 . . . . 0.0 110.958 178.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 t -81.72 107.41 13.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.959 0.885 . . . . 0.0 111.24 -174.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.63 ' OD1' ' HG3' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -53.12 112.05 0.79 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.874 0.845 . . . . 0.0 110.786 174.446 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -79.48 -27.61 41.52 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.68 0.753 . . . . 0.0 111.444 -174.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.93 -49.51 53.87 Favored Glycine 0 N--CA 1.461 0.337 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 174.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.63 ' HG3' ' OD1' ' A' ' 17' ' ' ASN . 2.6 mm-40 -62.08 -27.89 69.23 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.947 -0.737 . . . . 0.0 111.471 176.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.06 -27.28 61.65 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.612 0.72 . . . . 0.0 111.17 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -75.83 -27.3 57.83 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.574 0.702 . . . . 0.0 110.332 173.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.4 m -78.47 -28.14 46.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.88 0.848 . . . . 0.0 110.359 172.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.01 -25.02 35.07 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.302 0.573 . . . . 0.0 111.454 174.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.524 ' HA2' ' HB2' ' A' ' 28' ' ' ARG . . . -82.14 -42.86 8.44 Favored Glycine 0 N--CA 1.465 0.632 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 174.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.35 -38.23 31.44 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.461 0 CA-C-O 122.154 0.978 . . . . 0.0 110.467 172.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -40.12 72.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 122.024 0.916 . . . . 0.0 110.886 174.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.586 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -50.47 -49.26 55.69 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.961 0.886 . . . . 0.0 111.053 176.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.605 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.319 -0.74 0 CA-C-O 121.846 0.831 . . . . 0.0 111.173 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 58.2 t30 . . . . . 0 CA--C 1.51 -0.575 0 CA-C-O 121.566 0.698 . . . . 0.0 111.671 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.581 ' O ' HG21 ' A' ' 7' ' ' VAL . . . -136.6 62.96 0.59 Allowed Glycine 0 C--N 1.32 -0.325 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 178.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.581 HG21 ' O ' ' A' ' 6' ' ' GLY . 3.3 t -162.16 -62.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 122.004 0.906 . . . . 0.0 111.067 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.825 ' O ' HG23 ' A' ' 10' ' ' THR . 0.2 OUTLIER 24.44 57.41 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 126.278 1.831 . . . . 0.0 113.66 179.651 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 75.7 m -46.57 98.54 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.707 173.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.825 HG23 ' O ' ' A' ' 8' ' ' HIS . 11.2 t -172.67 28.68 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.848 0.832 . . . . 0.0 111.308 -173.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -148.18 48.92 1.05 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.019 0.914 . . . . 0.0 111.03 -174.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t 63.04 39.74 9.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.977 0.894 . . . . 0.0 110.924 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.04 159.03 9.91 Favored Glycine 0 C--N 1.32 -0.351 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -174.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 77.3 m -86.63 -107.11 0.06 Allowed 'General case' 0 C--O 1.245 0.836 0 O-C-N 121.79 -0.83 . . . . 0.0 110.594 -175.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.12 -45.81 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 122.029 0.919 . . . . 0.0 111.054 -174.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -80.1 108.9 14.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 122.108 0.956 . . . . 0.0 111.458 -174.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.997 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -66.41 129.64 40.51 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.922 0.868 . . . . 0.0 111.118 174.515 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -94.76 -39.15 10.43 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.792 0.806 . . . . 0.0 111.203 -175.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.19 -42.14 94.47 Favored Glycine 0 N--CA 1.462 0.383 0 CA-C-O 122.392 0.995 . . . . 0.0 110.696 174.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.997 ' HB2' ' HB2' ' A' ' 17' ' ' ASN . 1.6 mp0 -65.67 -26.87 67.98 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.665 0.745 . . . . 0.0 111.025 174.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.5 -25.52 63.18 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 121.589 -0.694 . . . . 0.0 111.286 174.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -76.06 -29.63 58.09 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.506 -0.746 . . . . 0.0 110.251 173.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.612 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 2.6 t -76.88 -28.18 55.28 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.814 0.816 . . . . 0.0 110.491 172.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.35 -23.97 32.26 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.263 0.554 . . . . 0.0 111.743 174.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.46 -44.48 7.38 Favored Glycine 0 N--CA 1.466 0.641 0 N-CA-C 109.148 -1.581 . . . . 0.0 109.148 174.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.6 t -55.45 -35.39 37.38 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 CA-C-O 122.453 1.121 . . . . 0.0 110.392 172.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.612 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -69.47 -36.98 77.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.013 0.911 . . . . 0.0 110.896 174.627 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.4 -58.32 7.54 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.122 0.963 . . . . 0.0 110.86 174.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--N 1.321 -0.653 0 CA-C-O 121.684 0.754 . . . . 0.0 111.302 175.211 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.512 -0.515 0 CA-C-O 121.689 0.756 . . . . 0.0 112.061 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.06 -12.51 79.28 Favored Glycine 0 C--O 1.243 0.668 0 N-CA-C 114.444 0.537 . . . . 0.0 114.444 -173.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 50.1 t -50.64 -37.2 15.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 O-C-N 121.294 -1.121 . . . . 0.0 111.961 -174.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 48.93 73.81 0.21 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.132 0.968 . . . . 0.0 111.819 175.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.559 ' HB3' ' O ' ' A' ' 13' ' ' GLY . 56.3 m -84.81 93.61 8.52 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.66 174.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.0 p -119.31 103.26 9.33 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.213 1.006 . . . . 0.0 112.131 -173.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.583 ' O ' ' HB2' ' A' ' 12' ' ' SER . 0.0 OUTLIER 45.7 54.6 7.58 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.045 0.926 . . . . 0.0 112.37 173.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.583 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 1.4 t 168.3 42.61 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.854 0.835 . . . . 0.0 110.699 -175.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.559 ' O ' ' HB3' ' A' ' 9' ' ' CYS . . . 54.55 -119.57 12.92 Favored Glycine 0 N--CA 1.465 0.612 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 -173.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.1 m -134.06 -74.69 0.48 Allowed 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.089 -0.653 . . . . 0.0 110.537 173.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m 47.41 26.71 0.8 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.682 0.753 . . . . 0.0 111.857 174.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.715 HG11 ' CZ2' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -69.81 138.17 22.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 122.071 0.939 . . . . 0.0 111.132 -174.449 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.697 HD21 ' HB2' ' A' ' 20' ' ' GLU . 2.6 t30 -74.96 129.37 37.53 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.959 0.885 . . . . 0.0 111.054 175.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.715 ' CZ2' HG11 ' A' ' 16' ' ' VAL . 33.3 m95 -101.21 -22.74 14.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.326 0.584 . . . . 0.0 111.71 -175.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.2 -50.78 15.67 Favored Glycine 0 N--CA 1.462 0.371 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 174.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.697 ' HB2' HD21 ' A' ' 17' ' ' ASN . 0.0 OUTLIER -67.17 -29.87 69.67 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.572 0.701 . . . . 0.0 111.229 177.629 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.3 -21.56 56.08 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.649 -0.657 . . . . 0.0 111.642 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.5 -29.79 52.67 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.419 -0.801 . . . . 0.0 110.209 173.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.557 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 3.6 m -77.45 -28.23 52.36 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.881 0.848 . . . . 0.0 110.397 172.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.22 -22.82 30.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.239 0.543 . . . . 0.0 111.803 174.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.505 ' O ' ' HB3' ' A' ' 28' ' ' ARG . . . -83.1 -42.9 7.81 Favored Glycine 0 N--CA 1.467 0.712 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 174.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -55.33 -40.32 56.45 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.481 0 CA-C-O 122.174 0.987 . . . . 0.0 110.567 172.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.557 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.1 OUTLIER -68.34 -37.35 80.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.048 0.928 . . . . 0.0 110.941 176.091 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.505 ' HB3' ' O ' ' A' ' 25' ' ' GLY . 7.2 tpp85 -54.74 -41.89 70.93 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.96 0.886 . . . . 0.0 110.977 176.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.712 HD21 ' N ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.32 -0.691 0 CA-C-O 121.615 0.721 . . . . 0.0 111.377 175.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.5 ' O ' HG21 ' A' ' 7' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.987 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.589 ' O ' HG23 ' A' ' 16' ' ' VAL . . . 67.2 2.84 21.15 Favored Glycine 0 N--CA 1.462 0.391 0 O-C-N 121.132 -0.98 . . . . 0.0 114.639 177.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.5 HG21 ' O ' ' A' ' 5' ' ' ASN . 97.0 t -108.2 59.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 122.468 1.127 . . . . 0.0 111.42 -173.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -95.58 49.43 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 122.968 1.366 . . . . 0.0 110.404 173.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 65.3 m -52.59 147.67 8.15 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.3 p -116.15 -155.84 0.59 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.368 0.604 . . . . 0.0 110.77 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.455 ' H ' ' HG2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -95.41 39.19 1.13 Allowed 'General case' 0 C--N 1.32 -0.705 0 O-C-N 121.485 -0.76 . . . . 0.0 111.458 177.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.85 -43.24 0.43 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.1 0.952 . . . . 0.0 110.914 174.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.45 -125.53 0.85 Allowed Glycine 0 N--CA 1.46 0.245 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 174.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.4 m -137.2 -70.78 0.45 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.877 0.846 . . . . 0.0 110.916 174.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.59 83.22 0.06 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.996 0.903 . . . . 0.0 111.057 175.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.641 HG12 ' CH2' ' A' ' 18' ' ' TRP . 15.2 t -80.77 136.51 23.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.983 0.897 . . . . 0.0 111.01 177.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.723 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 2.0 t-20 -96.53 114.09 25.72 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.908 0.861 . . . . 0.0 110.963 174.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.641 ' CH2' HG12 ' A' ' 16' ' ' VAL . 22.9 m95 -89.91 -32.2 16.95 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.896 0.855 . . . . 0.0 111.118 -175.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.47 -37.48 35.65 Favored Glycine 0 C--N 1.32 -0.313 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 174.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.723 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 3.3 mm-40 -72.25 -27.62 62.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.554 0.692 . . . . 0.0 111.296 174.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.445 ' HB1' ' O ' ' A' ' 17' ' ' ASN . . . -76.72 -26.04 54.21 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 121.575 -0.703 . . . . 0.0 111.265 177.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -76.92 -30.11 55.98 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.541 -0.725 . . . . 0.0 110.247 173.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.59 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 1.5 t -77.99 -27.22 48.99 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.763 0.792 . . . . 0.0 110.464 172.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.431 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . . . -83.06 -24.93 32.53 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.307 0.575 . . . . 0.0 111.485 174.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.49 -46.02 7.09 Favored Glycine 0 N--CA 1.467 0.738 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 175.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.6 t -54.97 -36.67 39.17 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 CA-C-O 122.581 1.182 . . . . 0.0 110.456 172.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.59 ' HB2' ' O ' ' A' ' 23' ' ' SER . 47.9 t-80 -69.51 -35.1 75.2 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.09 176.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -49.21 74.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.258 1.028 . . . . 0.0 110.857 175.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.57 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.383 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.577 0 CA-C-O 121.898 0.856 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -111.3 -61.34 0.47 Allowed Glycine 0 C--N 1.319 -0.379 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -174.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.797 HG11 ' SG ' ' A' ' 9' ' ' CYS . 0.9 OUTLIER -55.72 -68.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 122.111 0.958 . . . . 0.0 110.969 -175.172 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.552 ' N ' HG13 ' A' ' 7' ' ' VAL . 0.5 OUTLIER 59.54 60.03 2.4 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.051 0.929 . . . . 0.0 110.973 174.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.797 ' SG ' HG11 ' A' ' 7' ' ' VAL . 48.0 m -102.03 127.56 48.85 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.829 0.823 . . . . 0.0 110.889 174.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.75 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 2.4 m -111.72 64.31 0.62 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.718 0.77 . . . . 0.0 111.188 -174.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.75 ' HG2' ' O ' ' A' ' 10' ' ' THR . 0.0 OUTLIER 44.28 55.5 5.51 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.966 0.889 . . . . 0.0 112.047 174.73 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.53 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 8.4 t 177.59 -56.35 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.037 0.922 . . . . 0.0 111.112 178.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.69 -156.81 7.06 Favored Glycine 0 C--N 1.321 -0.303 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 174.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.602 ' HB3' HG13 ' A' ' 16' ' ' VAL . 61.9 m -142.12 -52.01 0.41 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.155 0.979 . . . . 0.0 110.96 -175.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 73.61 14.52 4.24 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.453 175.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.602 HG13 ' HB3' ' A' ' 14' ' ' CYS . 0.2 OUTLIER -85.56 93.18 3.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 O-C-N 121.182 -0.949 . . . . 0.0 110.829 174.538 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 1.019 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 1.5 t-20 -78.19 143.88 36.8 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.884 0.85 . . . . 0.0 110.832 175.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 26.8 m95 -83.06 -36.97 24.49 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.926 0.869 . . . . 0.0 110.849 -178.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.69 -45.66 57.69 Favored Glycine 0 N--CA 1.462 0.401 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 174.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 1.019 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 1.5 mp0 -68.18 -16.56 64.04 Favored 'General case' 0 C--O 1.242 0.665 0 O-C-N 122.256 -0.555 . . . . 0.0 111.74 174.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.54 ' HB1' ' O ' ' A' ' 17' ' ' ASN . . . -74.74 -27.71 60.47 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.297 -0.877 . . . . 0.0 111.018 174.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -79.08 -27.63 43.02 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.571 0.701 . . . . 0.0 110.107 172.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.781 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -76.48 -26.55 55.45 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.621 0.724 . . . . 0.0 110.215 171.595 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.65 -29.72 27.42 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.621 0.724 . . . . 0.0 111.223 174.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.2 -40.4 34.26 Favored Glycine 0 N--CA 1.468 0.824 0 N-CA-C 108.209 -1.956 . . . . 0.0 108.209 174.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 t -60.25 -40.0 82.41 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-O 122.944 1.354 . . . . 0.0 110.25 171.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.781 ' HB2' ' O ' ' A' ' 23' ' ' SER . 44.2 t-80 -75.25 -16.02 60.49 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.05 -177.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.5 tmm_? -83.97 -57.35 3.23 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.32 -0.862 . . . . 0.0 111.302 173.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.575 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.32 -0.699 0 CA-C-O 122.106 0.955 . . . . 0.0 110.853 174.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 . . . . . 0 CA--C 1.511 -0.555 0 CA-C-O 122.013 0.911 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 157.74 49.9 0.01 OUTLIER Glycine 0 C--N 1.321 -0.298 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.851 HG23 HG23 ' A' ' 16' ' ' VAL . 2.6 t -144.49 59.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 122.005 0.907 . . . . 0.0 110.971 175.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.46 ' O ' ' CG ' ' A' ' 8' ' ' HIS . 0.2 OUTLIER -150.92 77.89 1.28 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 124.138 1.923 . . . . 0.0 110.359 -179.806 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -44.4 101.3 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 114.635 -1.166 . . . . 0.0 111.64 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 1.028 HG23 ' HG2' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -124.72 -44.95 1.93 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.805 0.812 . . . . 0.0 111.201 -174.566 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 1.028 ' HG2' HG23 ' A' ' 10' ' ' THR . 9.0 mmmt -96.95 -100.65 0.18 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.913 0.863 . . . . 0.0 110.074 -174.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.458 ' H ' ' HB2' ' A' ' 11' ' ' LYS . 4.6 m -127.54 46.78 2.48 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.018 0.913 . . . . 0.0 111.006 -178.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.79 159.62 8.02 Favored Glycine 0 C--N 1.32 -0.334 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 m -80.01 -53.7 6.48 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.253 1.025 . . . . 0.0 110.931 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 82.27 28.93 0.13 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.13 0.967 . . . . 0.0 110.985 176.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.851 HG23 HG23 ' A' ' 7' ' ' VAL . 1.7 t -70.85 147.95 10.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.91 0.862 . . . . 0.0 110.904 -177.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.843 ' CG ' ' HB2' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -78.26 112.09 14.89 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.951 0.881 . . . . 0.0 110.941 -177.545 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -88.32 -26.83 22.05 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.624 0.726 . . . . 0.0 111.359 -174.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.0 -31.94 41.53 Favored Glycine 0 N--CA 1.461 0.338 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 174.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.843 ' HB2' ' CG ' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -74.19 -31.98 62.88 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.833 0.825 . . . . 0.0 111.125 176.35 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.427 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . . . -78.37 -21.8 48.87 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.29 0.567 . . . . 0.0 111.493 175.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -30.74 56.5 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.448 -0.783 . . . . 0.0 110.253 173.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 25.2 t -78.24 -27.42 47.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.806 0.813 . . . . 0.0 110.391 173.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.427 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . . . -84.56 -21.81 30.31 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.159 0.504 . . . . 0.0 111.768 174.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.89 -44.72 6.64 Favored Glycine 0 N--CA 1.466 0.679 0 N-CA-C 109.13 -1.588 . . . . 0.0 109.13 174.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.5 t -55.02 -38.55 46.29 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.47 0 CA-C-O 122.206 1.003 . . . . 0.0 110.523 172.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 23' ' ' SER . 7.1 t-160 -68.63 -38.1 80.26 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.002 0.905 . . . . 0.0 110.909 175.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -50.29 68.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.994 0.902 . . . . 0.0 111.039 178.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.601 HD21 ' N ' ' A' ' 29' ' ' LEU . 1.3 mt . . . . . 0 C--N 1.32 -0.702 0 CA-C-O 121.44 0.638 . . . . 0.0 111.442 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 CA--C 1.51 -0.591 0 CA-C-O 121.997 0.903 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 88.74 39.82 6.49 Favored Glycine 0 C--N 1.32 -0.314 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 178.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.5 t -127.61 -48.39 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.955 0.883 . . . . 0.0 110.978 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.5 t60 61.14 66.99 0.83 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.008 0.908 . . . . 0.0 110.967 -177.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.535 ' HB2' ' HB3' ' A' ' 14' ' ' CYS . 42.7 t -80.95 95.59 6.81 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.002 0.906 . . . . 0.0 110.989 176.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.65 HG21 ' N ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -101.65 -159.42 0.73 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.347 0.594 . . . . 0.0 110.704 -174.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.65 ' N ' HG21 ' A' ' 10' ' ' THR . 0.0 OUTLIER -96.45 37.11 1.29 Allowed 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.413 -0.804 . . . . 0.0 111.358 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 m -134.44 -42.9 0.77 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.107 0.956 . . . . 0.0 110.795 174.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.77 147.87 5.77 Favored Glycine 0 N--CA 1.461 0.308 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 174.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -111.47 -144.97 0.39 Allowed 'General case' 0 C--N 1.318 -0.77 0 O-C-N 121.875 -0.78 . . . . 0.0 109.927 -179.051 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.4 p 43.66 60.88 2.47 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.784 0.802 . . . . 0.0 111.419 -174.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.567 HG12 ' CH2' ' A' ' 18' ' ' TRP . 16.8 t -106.08 117.16 51.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.947 0.88 . . . . 0.0 111.601 -174.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -94.63 117.97 30.96 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.57 0.7 . . . . 0.0 110.58 173.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.567 ' CH2' HG12 ' A' ' 16' ' ' VAL . 49.6 m95 -88.32 -33.47 17.98 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.639 0.733 . . . . 0.0 111.591 -174.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.69 -43.85 73.71 Favored Glycine 0 N--CA 1.462 0.373 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 174.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.16 -25.29 59.64 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 122.176 -0.602 . . . . 0.0 111.526 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.512 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . . . -81.59 -18.86 43.33 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.527 -0.733 . . . . 0.0 111.753 177.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -80.59 -32.12 36.57 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.389 -0.82 . . . . 0.0 109.877 172.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 28.7 t -78.68 -30.17 45.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.816 0.817 . . . . 0.0 110.385 172.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.512 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . . . -84.81 -19.21 32.86 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.003 174.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.35 -44.65 6.13 Favored Glycine 0 N--CA 1.466 0.644 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 174.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.8 t -56.17 -38.15 52.82 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.539 0 CA-C-O 121.933 0.873 . . . . 0.0 110.68 172.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 23' ' ' SER . 1.4 m170 -75.8 -34.4 60.18 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.955 0.883 . . . . 0.0 111.038 177.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.743 ' HB3' HD22 ' A' ' 29' ' ' LEU . 1.5 ttt180 -57.08 -46.45 82.52 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.989 0.899 . . . . 0.0 110.992 177.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.743 HD22 ' HB3' ' A' ' 28' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.32 -0.689 0 CA-C-O 121.9 0.857 . . . . 0.0 111.07 -175.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 CA--C 1.511 -0.548 0 CA-C-O 121.553 0.692 . . . . 0.0 111.88 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.76 64.22 1.38 Allowed Glycine 0 C--N 1.32 -0.336 0 CA-C-O 122.058 0.81 . . . . 0.0 111.54 174.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.547 HG11 ' CG2' ' A' ' 16' ' ' VAL . 0.5 OUTLIER -73.45 -2.75 3.67 Favored 'Isoleucine or valine' 0 C--O 1.246 0.89 0 O-C-N 121.978 -0.719 . . . . 0.0 112.678 -178.825 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.1 t60 66.01 87.54 0.12 Allowed 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.117 -0.989 . . . . 0.0 110.771 174.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.2 m -117.74 154.99 30.77 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.012 0.91 . . . . 0.0 110.994 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.5 p -128.57 -162.52 1.2 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.004 0.907 . . . . 0.0 110.978 175.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -97.7 41.59 1.12 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.911 0.863 . . . . 0.0 111.09 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -165.26 -51.11 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.992 0.901 . . . . 0.0 111.031 174.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -164.29 148.3 14.27 Favored Glycine 0 C--N 1.32 -0.348 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.7 m -89.93 -69.56 0.71 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.943 0.878 . . . . 0.0 110.979 -174.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.1 t 67.74 100.68 0.05 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.961 0.886 . . . . 0.0 111.011 174.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.547 ' CG2' HG11 ' A' ' 7' ' ' VAL . 2.8 t -91.37 112.75 25.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.86 0.838 . . . . 0.0 111.121 -174.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.857 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -72.36 152.04 42.31 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.925 0.869 . . . . 0.0 111.025 174.657 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -110.62 -43.56 3.82 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.751 0.786 . . . . 0.0 111.015 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.32 -44.78 63.77 Favored Glycine 0 N--CA 1.463 0.434 0 CA-C-O 122.549 1.083 . . . . 0.0 110.466 174.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.857 ' HB2' ' HB2' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -66.33 -25.85 67.02 Favored 'General case' 0 CA--C 1.509 -0.599 0 O-C-N 122.03 -0.688 . . . . 0.0 111.037 174.317 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.573 ' HB1' ' O ' ' A' ' 17' ' ' ASN . . . -70.83 -26.18 63.17 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 121.586 -0.696 . . . . 0.0 111.145 174.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -76.09 -28.61 57.63 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.652 0.739 . . . . 0.0 110.251 173.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.467 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 63.9 m -77.27 -28.58 53.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.875 0.845 . . . . 0.0 110.4 172.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.97 -22.89 33.59 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.255 0.55 . . . . 0.0 111.819 174.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.63 -43.86 7.12 Favored Glycine 0 N--CA 1.465 0.62 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 174.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.1 t -55.06 -35.32 34.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 122.154 0.978 . . . . 0.0 110.55 172.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.467 ' HB2' ' O ' ' A' ' 23' ' ' SER . 7.0 t-80 -72.78 -39.02 67.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.025 0.917 . . . . 0.0 110.969 174.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.41 -37.95 51.06 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.078 0.942 . . . . 0.0 111.03 177.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.504 HD22 ' N ' ' A' ' 29' ' ' LEU . 1.2 mt . . . . . 0 C--N 1.32 -0.708 0 CA-C-O 121.724 0.773 . . . . 0.0 111.233 177.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.511 -0.553 0 CA-C-O 122.011 0.91 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.37 101.86 0.68 Allowed Glycine 0 C--N 1.319 -0.403 0 CA-C-O 122.982 1.323 . . . . 0.0 110.475 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.413 HG11 ' SG ' ' A' ' 9' ' ' CYS . 2.6 t -138.06 -71.01 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-O 121.99 0.9 . . . . 0.0 110.975 -178.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.5 t60 54.74 71.2 0.55 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.994 0.902 . . . . 0.0 111.056 174.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.413 ' SG ' HG11 ' A' ' 7' ' ' VAL . 88.3 m -86.96 118.82 26.59 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.98 0.895 . . . . 0.0 111.034 177.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 t -159.75 155.69 26.35 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.037 0.922 . . . . 0.0 110.993 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.15 78.88 0.21 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.054 0.93 . . . . 0.0 110.988 175.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.8 m 68.92 65.16 0.29 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.06 0.933 . . . . 0.0 110.971 175.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.86 -155.9 46.98 Favored Glycine 0 C--N 1.321 -0.298 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 175.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.4 m -97.49 -75.51 0.54 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.805 0.812 . . . . 0.0 110.924 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.0 p 46.42 51.67 11.46 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.944 0.878 . . . . 0.0 111.305 -174.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 17' ' ' ASN . 0.4 OUTLIER -96.04 147.75 5.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 122.073 0.939 . . . . 0.0 111.292 -174.819 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.462 ' O ' HG23 ' A' ' 16' ' ' VAL . 1.3 t-20 -96.15 -159.95 0.76 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.499 0.666 . . . . 0.0 110.719 174.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -145.27 -42.79 0.22 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.621 0.724 . . . . 0.0 111.559 -177.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.69 -37.25 52.23 Favored Glycine 0 N--CA 1.462 0.378 0 N-CA-C 110.551 -1.02 . . . . 0.0 110.551 174.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -73.18 -25.93 60.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.296 0.569 . . . . 0.0 111.359 174.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.507 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . . . -82.24 -17.21 46.84 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 121.568 -0.707 . . . . 0.0 112.019 176.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -84.9 -26.68 27.13 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.304 -0.873 . . . . 0.0 110.134 172.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 t -83.94 -26.31 29.39 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.749 0.785 . . . . 0.0 110.233 171.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.624 ' O ' ' HB2' ' A' ' 28' ' ' ARG . . . -86.58 -27.39 23.93 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.601 0.715 . . . . 0.0 111.228 174.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.16 -41.48 39.03 Favored Glycine 0 N--CA 1.467 0.745 0 N-CA-C 108.36 -1.896 . . . . 0.0 108.36 173.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.512 HG13 ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -47.43 -63.31 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 CA-C-O 123.476 1.608 . . . . 0.0 110.659 172.046 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.512 ' N ' HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -68.52 -27.65 66.3 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.053 -174.543 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.624 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 18.0 ttt180 -57.8 -37.69 74.21 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.055 0.931 . . . . 0.0 110.684 174.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.729 HD21 ' N ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.32 -0.697 0 CA-C-O 122.317 1.056 . . . . 0.0 110.878 174.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 CA--C 1.512 -0.496 0 CA-C-O 123.725 1.726 . . . . 0.0 111.442 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 121.74 4.14 9.77 Favored Glycine 0 C--N 1.319 -0.362 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.924 -172.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.43 HG11 ' N ' ' A' ' 8' ' ' HIS . 2.5 t -87.46 -69.15 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 122.142 0.972 . . . . 0.0 109.926 173.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.43 ' N ' HG11 ' A' ' 7' ' ' VAL . 0.1 OUTLIER 52.05 82.86 0.06 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.786 1.279 . . . . 0.0 111.425 173.006 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -88.78 73.9 8.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 122.078 0.942 . . . . 0.0 110.848 174.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.2 p -83.44 -159.7 0.38 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.87 0.843 . . . . 0.0 110.981 -176.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -99.83 43.43 1.06 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.043 0.925 . . . . 0.0 111.021 174.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.7 t -140.34 -49.95 0.46 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.952 0.882 . . . . 0.0 111.004 174.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.55 142.48 5.94 Favored Glycine 0 C--N 1.321 -0.299 0 CA-C-O 122.029 0.794 . . . . 0.0 111.174 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 15' ' ' SER . 62.7 m -80.82 -63.02 1.5 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.093 0.949 . . . . 0.0 110.944 174.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.447 ' HB2' ' O ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER 70.19 73.02 0.22 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.953 0.883 . . . . 0.0 110.957 -174.802 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.9 t -145.65 160.13 12.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.991 0.9 . . . . 0.0 111.103 -174.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.688 ' CG ' ' HB3' ' A' ' 20' ' ' GLU . 9.6 t-20 -99.19 112.93 24.97 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.938 0.875 . . . . 0.0 110.985 174.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -94.05 -28.39 15.76 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.721 0.772 . . . . 0.0 111.359 -174.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.03 -34.96 40.27 Favored Glycine 0 N--CA 1.461 0.356 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.688 ' HB3' ' CG ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -67.35 -34.56 77.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.922 0.867 . . . . 0.0 111.005 174.879 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.66 -21.97 59.14 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.24 0.543 . . . . 0.0 111.456 177.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -30.99 60.24 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 121.436 -0.79 . . . . 0.0 110.171 172.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -73.94 -31.49 63.07 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 122.058 0.932 . . . . 0.0 110.423 172.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.72 -24.11 31.35 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.744 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.73 -43.06 8.57 Favored Glycine 0 N--CA 1.465 0.609 0 N-CA-C 109.184 -1.567 . . . . 0.0 109.184 174.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 t -52.37 -41.75 36.06 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-O 121.967 0.889 . . . . 0.0 110.575 172.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -70.06 -34.85 73.73 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.963 0.887 . . . . 0.0 111.058 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -53.9 -40.67 66.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.949 0.88 . . . . 0.0 110.96 175.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.615 HD21 ' N ' ' A' ' 29' ' ' LEU . 1.2 mt . . . . . 0 C--N 1.32 -0.687 0 CA-C-O 121.96 0.886 . . . . 0.0 111.051 178.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 44.9 t30 . . . . . 0 C--O 1.24 0.604 0 CA-C-O 121.195 0.521 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.31 -76.34 0.67 Allowed Glycine 0 N--CA 1.462 0.433 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 174.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 1.079 HG22 HG12 ' A' ' 16' ' ' VAL . 8.4 p -141.04 -60.59 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 122.357 1.075 . . . . 0.0 111.314 -174.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.548 ' CE1' ' CG2' ' A' ' 10' ' ' THR . 1.8 t60 137.9 77.11 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 127.924 2.489 . . . . 0.0 108.673 -171.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.451 ' HB2' ' HB3' ' A' ' 14' ' ' CYS . 16.3 t -59.13 95.02 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.996 0.903 . . . . 0.0 111.709 -173.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.548 ' CG2' ' CE1' ' A' ' 8' ' ' HIS . 1.4 t -173.55 29.73 0.01 OUTLIER 'General case' 0 C--O 1.242 0.68 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.553 174.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.577 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 10.4 ptmt -148.83 33.16 0.76 Allowed 'General case' 0 C--N 1.32 -0.714 0 O-C-N 121.292 -0.88 . . . . 0.0 111.821 -174.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.494 ' HB3' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER 89.29 -27.4 0.05 Allowed 'General case' 0 C--O 1.243 0.734 0 C-N-CA 124.097 0.959 . . . . 0.0 111.688 174.608 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -130.6 122.07 3.47 Favored Glycine 0 C--N 1.318 -0.433 0 O-C-N 121.26 -0.9 . . . . 0.0 110.899 174.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.683 ' O ' HG13 ' A' ' 7' ' ' VAL . 59.7 m -92.61 -56.97 2.82 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.823 1.297 . . . . 0.0 110.994 -177.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.29 56.21 3.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.949 1.357 . . . . 0.0 110.777 172.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 1.079 HG12 HG22 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -56.13 135.5 19.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 122.903 1.335 . . . . 0.0 112.623 -174.686 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.482 ' O ' HG21 ' A' ' 16' ' ' VAL . 3.0 t-20 -97.33 -148.07 0.32 Allowed 'General case' 0 C--O 1.244 0.814 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.705 172.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -141.13 -41.77 0.38 Allowed 'General case' 0 C--N 1.317 -0.808 0 O-C-N 121.503 -0.748 . . . . 0.0 111.069 174.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.57 -40.84 26.3 Favored Glycine 0 N--CA 1.462 0.413 0 CA-C-O 123.014 1.341 . . . . 0.0 109.963 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HG3' HD21 ' A' ' 17' ' ' ASN . 6.2 mm-40 -74.16 -24.25 59.37 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 122.063 -0.669 . . . . 0.0 111.401 174.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.44 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . . . -77.33 -25.26 50.96 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.49 -0.756 . . . . 0.0 111.339 176.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -78.11 -30.45 49.47 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.555 -0.715 . . . . 0.0 110.096 173.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.492 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 24.6 t -77.01 -27.67 54.72 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.865 0.84 . . . . 0.0 110.466 172.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.44 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . . . -84.07 -24.15 30.52 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.233 0.54 . . . . 0.0 111.74 174.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.33 -42.77 8.37 Favored Glycine 0 N--CA 1.466 0.639 0 N-CA-C 109.229 -1.549 . . . . 0.0 109.229 174.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.99 -40.08 52.29 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.466 0 CA-C-O 122.106 0.955 . . . . 0.0 110.582 172.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.492 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.1 OUTLIER -66.84 -42.24 86.09 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.986 0.898 . . . . 0.0 110.95 175.107 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -55.02 -35.58 64.57 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.992 0.901 . . . . 0.0 110.966 -176.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.522 HD22 ' N ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.32 -0.715 0 CA-C-O 121.881 0.848 . . . . 0.0 111.077 176.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.576 0 CA-C-O 121.997 0.903 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -129.9 36.92 3.99 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.83 0.824 . . . . 0.0 111.159 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.6 m-30 -99.07 28.68 4.27 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.712 0.768 . . . . 0.0 111.358 175.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.53 132.21 3.65 Favored Glycine 0 N--CA 1.462 0.377 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -174.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 68.01 133.14 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.464 0.649 . . . . 0.0 110.388 -173.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.11 -3.95 78.35 Favored Glycine 0 N--CA 1.459 0.227 0 O-C-N 121.359 -0.838 . . . . 0.0 112.618 -172.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.946 HG23 HG13 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -43.53 -35.17 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 C-N-CA 124.143 0.977 . . . . 0.0 113.324 -174.388 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.9 t60 59.02 77.74 0.29 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.94 0.876 . . . . 0.0 110.731 -173.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.74 117.49 2.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.905 0.86 . . . . 0.0 110.914 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 77.2 p -100.64 39.46 1.37 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.936 0.874 . . . . 0.0 111.037 -175.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 12' ' ' SER . 2.2 ttmt 53.52 40.55 31.55 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.975 0.893 . . . . 0.0 111.02 176.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.434 ' HB3' ' O ' ' A' ' 11' ' ' LYS . 93.6 p 174.63 42.97 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.026 0.917 . . . . 0.0 111.082 -175.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.34 129.34 4.04 Favored Glycine 0 C--N 1.32 -0.347 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.644 ' O ' HG13 ' A' ' 16' ' ' VAL . 0.5 OUTLIER -93.0 -83.94 0.3 Allowed 'General case' 0 C--N 1.32 -0.697 0 O-C-N 122.028 -0.689 . . . . 0.0 111.194 177.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.824 ' HA ' HG22 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -33.97 -43.17 0.14 Allowed 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 124.635 1.174 . . . . 0.0 113.478 -173.357 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.946 HG13 HG23 ' A' ' 7' ' ' VAL . 5.9 p 47.76 70.41 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.379 0.609 . . . . 0.0 112.636 173.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.997 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 1.8 t30 -79.53 140.55 37.2 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.406 -0.809 . . . . 0.0 109.29 172.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -80.94 -35.65 31.99 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.648 0.737 . . . . 0.0 111.361 -173.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.04 -38.86 39.25 Favored Glycine 0 N--CA 1.462 0.394 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 174.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.997 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -74.11 -13.32 60.81 Favored 'General case' 0 C--O 1.243 0.744 0 O-C-N 122.115 -0.638 . . . . 0.0 112.166 174.618 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.476 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . . . -82.76 -22.29 34.39 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.287 -0.883 . . . . 0.0 111.084 174.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -82.57 -28.81 30.69 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.526 -0.734 . . . . 0.0 109.993 171.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.431 ' HA ' ' HB ' ' A' ' 26' ' ' VAL . 1.2 m -79.05 -27.54 43.12 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.846 0.831 . . . . 0.0 110.236 171.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.476 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . . . -84.95 -26.34 27.26 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.619 0.723 . . . . 0.0 110.958 173.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.33 -41.49 30.69 Favored Glycine 0 N--CA 1.467 0.704 0 N-CA-C 108.405 -1.878 . . . . 0.0 108.405 173.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.511 HG13 ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -48.51 -64.12 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 CA-C-O 123.331 1.539 . . . . 0.0 110.654 171.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.511 ' N ' HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -67.87 -26.82 66.21 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.042 -174.606 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -42.23 75.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.109 0.957 . . . . 0.0 110.846 174.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.721 HD21 ' N ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -70.49 -37.37 74.19 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.006 0.908 . . . . 0.0 110.934 174.793 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.88 23.94 3.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.016 -175.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -92.79 24.87 3.39 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 121.468 -0.77 . . . . 0.0 112.074 174.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -111.4 -58.04 0.47 Allowed Glycine 0 N--CA 1.462 0.432 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 137.3 -58.18 0.65 Allowed Glycine 0 C--N 1.32 -0.338 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -137.09 30.94 2.7 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 121.947 -0.737 . . . . 0.0 111.495 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -119.69 50.04 0.84 Allowed Glycine 0 C--N 1.319 -0.371 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.573 ' HD2' ' CE3' ' A' ' 37' ' ' TRP . 49.6 t80 -121.22 -49.03 2.19 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.154 0.978 . . . . 0.0 111.0 177.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.573 ' CE3' ' HD2' ' A' ' 36' ' ' PHE . 4.0 m95 . . . . . 1 C--O 1.38 7.957 0 CA-C-O 121.99 0.9 . . . . 0.0 110.949 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt . . . . . 0 CA--C 1.511 -0.538 0 CA-C-O 122.174 0.988 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.64 43.07 1.12 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.322 1.058 . . . . 0.0 110.919 175.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -95.63 18.38 13.01 Favored 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 123.875 0.87 . . . . 0.0 111.969 -173.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.63 -102.03 0.21 Allowed Glycine 0 N--CA 1.464 0.519 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -174.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -167.06 34.13 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.997 0.903 . . . . 0.0 111.392 177.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.16 -25.19 73.47 Favored Glycine 0 C--O 1.241 0.56 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.607 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.55 ' HA ' HG22 ' A' ' 16' ' ' VAL . 38.2 t -52.75 -43.62 45.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 121.53 -0.983 . . . . 0.0 111.391 -175.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 60.36 65.24 1.09 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.986 0.898 . . . . 0.0 110.983 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.6 t -101.71 89.41 3.68 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.794 0.807 . . . . 0.0 110.949 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.7 p -145.1 44.11 1.33 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.681 0.753 . . . . 0.0 111.49 -174.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.685 ' O ' ' HB3' ' A' ' 12' ' ' SER . 0.0 OUTLIER -143.36 29.06 1.45 Allowed 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.603 -0.685 . . . . 0.0 111.778 174.558 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.685 ' HB3' ' O ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER 88.11 -38.86 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 124.62 1.168 . . . . 0.0 110.946 -174.522 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.84 160.54 24.9 Favored Glycine 0 N--CA 1.464 0.514 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 174.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 15' ' ' SER . 4.0 m -82.47 -135.72 0.04 OUTLIER 'General case' 0 C--O 1.246 0.883 0 O-C-N 121.73 -0.865 . . . . 0.0 110.093 -174.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.475 ' HB2' ' O ' ' A' ' 14' ' ' CYS . 7.6 t 177.49 -36.67 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.786 0 O-C-N 121.1 -1.0 . . . . 0.0 111.342 -174.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.55 HG22 ' HA ' ' A' ' 7' ' ' VAL . 67.5 t -58.06 98.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.854 0.835 . . . . 0.0 111.18 -174.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.941 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 8.1 t-20 -74.36 146.2 43.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.65 0.738 . . . . 0.0 110.61 174.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.7 m95 -98.28 -28.89 13.48 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.716 0.769 . . . . 0.0 111.341 -174.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.68 -43.23 12.15 Favored Glycine 0 N--CA 1.462 0.382 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 174.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.941 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 2.3 mm-40 -67.98 -21.86 65.04 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 122.125 -0.632 . . . . 0.0 111.573 174.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.57 ' HB1' ' O ' ' A' ' 17' ' ' ASN . . . -78.25 -22.46 48.34 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.453 -0.779 . . . . 0.0 111.764 176.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -79.73 -31.13 41.09 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.412 -0.805 . . . . 0.0 110.063 173.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.597 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 1.5 t -78.16 -27.05 48.01 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.702 0.763 . . . . 0.0 110.403 172.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.497 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . . . -85.55 -23.07 27.82 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.312 0.577 . . . . 0.0 111.626 174.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.5 -45.17 7.5 Favored Glycine 0 N--CA 1.466 0.689 0 N-CA-C 109.049 -1.62 . . . . 0.0 109.049 174.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.404 ' HA ' ' HG ' ' A' ' 29' ' ' LEU . 3.0 t -54.89 -40.18 51.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 122.906 1.336 . . . . 0.0 110.176 172.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.597 ' HB2' ' O ' ' A' ' 23' ' ' SER . 6.5 t-80 -61.49 -40.6 95.16 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.99 174.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.12 -51.26 66.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.07 0.938 . . . . 0.0 110.945 177.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.415 HD21 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -62.62 -33.83 75.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.56 0.695 . . . . 0.0 110.997 174.716 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 27' ' ' HIS . . . -51.4 -31.21 21.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.552 0.691 . . . . 0.0 111.5 -175.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -60.18 -55.95 27.53 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.921 0.867 . . . . 0.0 110.978 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.12 -63.16 5.41 Favored Glycine 0 C--N 1.32 -0.35 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.4 85.47 0.23 Allowed Glycine 0 C--N 1.32 -0.347 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.47 -66.66 0.89 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.038 0.923 . . . . 0.0 111.0 -175.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.08 83.14 1.45 Allowed Glycine 0 C--N 1.32 -0.31 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -176.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -132.64 -46.29 0.88 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.331 1.062 . . . . 0.0 110.97 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 1 C--O 1.379 7.908 0 CA-C-O 121.986 0.898 . . . . 0.0 110.835 175.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.579 0 CA-C-O 121.906 0.86 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -142.13 42.65 1.67 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.975 0.893 . . . . 0.0 111.054 176.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.589 ' N ' ' HD1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -95.78 41.68 1.1 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.991 0.9 . . . . 0.0 110.746 178.455 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.25 136.47 2.16 Favored Glycine 0 C--N 1.32 -0.323 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -174.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.9 -33.03 74.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.729 0.776 . . . . 0.0 111.444 179.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.53 -13.49 58.65 Favored Glycine 0 C--O 1.242 0.62 0 O-C-N 121.752 -0.592 . . . . 0.0 113.931 -175.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.412 HG11 ' O ' ' A' ' 7' ' ' VAL . 48.7 t -98.36 52.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 O-C-N 121.21 -1.17 . . . . 0.0 110.957 -174.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -94.38 54.52 1.85 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.682 1.23 . . . . 0.0 110.67 174.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 64.2 m -44.65 103.6 0.04 OUTLIER 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.734 174.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 p -73.87 -96.75 0.01 OUTLIER 'General case' 0 C--O 1.242 0.705 0 O-C-N 121.684 -0.635 . . . . 0.0 111.509 -173.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.54 25.16 1.86 Allowed 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.275 -0.89 . . . . 0.0 111.679 -174.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.4 t -157.74 32.37 0.26 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.176 0.989 . . . . 0.0 110.66 -174.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.71 -148.74 18.93 Favored Glycine 0 C--N 1.321 -0.293 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -174.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.9 m -129.17 -71.55 0.62 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.008 0.909 . . . . 0.0 110.984 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.51 43.56 30.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.048 0.928 . . . . 0.0 110.996 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.75 115.56 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 122.037 0.922 . . . . 0.0 110.964 -174.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.791 ' HB3' ' HB3' ' A' ' 20' ' ' GLU . 57.1 t-20 -96.29 139.14 32.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.958 0.885 . . . . 0.0 110.974 176.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 40.9 m95 -87.99 -41.09 13.37 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.84 0.828 . . . . 0.0 111.178 -174.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.44 -41.87 83.65 Favored Glycine 0 C--N 1.32 -0.359 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 174.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.791 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . 2.0 tp10 -64.27 -31.73 73.04 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.968 0.89 . . . . 0.0 111.004 174.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' A' ' 17' ' ' ASN . . . -73.34 -21.46 60.54 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.225 0.536 . . . . 0.0 111.625 178.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -79.15 -30.48 43.62 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 121.451 -0.781 . . . . 0.0 110.107 173.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.816 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 4.2 t -77.34 -27.17 52.64 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.649 0.738 . . . . 0.0 110.349 172.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.448 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . . . -84.88 -24.19 28.61 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.329 0.585 . . . . 0.0 111.471 174.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.447 ' HA2' ' HB2' ' A' ' 28' ' ' ARG . . . -82.31 -42.02 8.88 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 176.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.2 t -60.06 -38.09 75.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 122.988 1.375 . . . . 0.0 110.352 171.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.816 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.6 OUTLIER -77.13 -17.03 58.93 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.891 174.846 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.447 ' HB2' ' HA2' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -77.8 -45.61 23.99 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.199 -0.938 . . . . 0.0 110.98 173.357 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.504 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -63.24 -55.38 25.41 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.927 0.87 . . . . 0.0 110.997 177.878 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.736 ' HB1' ' C ' ' A' ' 34' ' ' ASN . . . -48.68 -62.16 1.65 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.439 1.114 . . . . 0.0 110.859 174.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 t30 50.82 18.74 0.54 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.166 0.984 . . . . 0.0 111.917 -175.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 152.15 42.89 0.02 OUTLIER Glycine 0 N--CA 1.462 0.428 0 O-C-N 120.927 -1.108 . . . . 0.0 110.84 -174.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.526 ' C ' ' HB3' ' A' ' 30' ' ' ALA . . . 164.51 -114.93 0.62 Allowed Glycine 0 C--N 1.32 -0.319 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -174.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.736 ' C ' ' HB1' ' A' ' 30' ' ' ALA . 1.9 m120 -138.95 -58.23 0.61 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.941 0.876 . . . . 0.0 111.054 -175.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.85 62.6 1.75 Allowed Glycine 0 C--N 1.32 -0.361 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 177.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -99.2 -17.07 18.32 Favored 'General case' 0 C--O 1.244 0.779 0 O-C-N 122.031 -0.687 . . . . 0.0 112.401 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.1 m95 . . . . . 1 C--O 1.381 7.994 0 O-C-N 121.284 -0.885 . . . . 0.0 110.878 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.494 0 CA-C-O 122.865 1.317 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 78.02 -12.08 1.12 Allowed 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 124.805 1.242 . . . . 0.0 114.021 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 25.23 39.79 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 126.003 1.721 . . . . 0.0 114.463 -174.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 35.66 59.6 0.85 Allowed Glycine 0 C--O 1.24 0.519 0 C-N-CA 124.032 0.825 . . . . 0.0 114.256 174.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -81.17 -90.01 0.07 Allowed 'General case' 0 C--N 1.319 -0.735 0 O-C-N 121.444 -1.033 . . . . 0.0 111.6 -173.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.75 34.91 0.3 Allowed Glycine 0 N--CA 1.461 0.365 0 O-C-N 121.429 -0.794 . . . . 0.0 111.311 -174.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.519 HG13 ' HB3' ' A' ' 14' ' ' CYS . 2.6 t -57.96 -22.2 18.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 O-C-N 121.881 -0.776 . . . . 0.0 111.465 174.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.3 t60 68.75 65.26 0.31 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.095 0.95 . . . . 0.0 110.783 174.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.2 m -90.35 -177.87 5.21 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.073 0.94 . . . . 0.0 110.988 174.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -161.08 -56.87 0.05 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.965 0.888 . . . . 0.0 111.003 174.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -117.34 -103.84 0.41 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.712 0.768 . . . . 0.0 109.99 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 p -91.03 -38.42 12.82 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.853 0.835 . . . . 0.0 111.193 -174.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.66 177.04 20.41 Favored Glycine 0 C--N 1.32 -0.326 0 CA-C-O 122.074 0.819 . . . . 0.0 111.283 -174.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.519 ' HB3' HG13 ' A' ' 7' ' ' VAL . 95.3 m -129.01 -68.73 0.73 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.116 0.96 . . . . 0.0 110.996 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m 63.94 85.38 0.14 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.002 0.906 . . . . 0.0 110.978 175.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.7 p -107.19 65.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.99 0.9 . . . . 0.0 111.048 -175.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.931 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 43.7 t-20 -55.03 119.41 5.41 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.893 0.854 . . . . 0.0 110.853 174.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -69.59 -35.7 75.55 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.909 0.861 . . . . 0.0 111.151 -174.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.33 -37.12 92.55 Favored Glycine 0 C--N 1.32 -0.314 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 175.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.931 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -66.24 -24.92 66.68 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 122.021 -0.694 . . . . 0.0 111.609 176.306 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.63 -29.03 59.03 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.465 -0.772 . . . . 0.0 111.168 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -75.83 -27.41 57.86 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.62 -0.675 . . . . 0.0 110.3 173.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.532 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -78.23 -27.8 47.77 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.923 0.868 . . . . 0.0 110.355 172.248 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.52 -23.37 34.63 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.667 174.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.52 ' O ' ' HB3' ' A' ' 28' ' ' ARG . . . -83.76 -44.04 6.99 Favored Glycine 0 N--CA 1.466 0.673 0 N-CA-C 109.169 -1.573 . . . . 0.0 109.169 174.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.2 t -55.66 -36.81 43.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 122.033 0.921 . . . . 0.0 110.487 172.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.532 ' HB2' ' O ' ' A' ' 23' ' ' SER . 41.0 t-80 -75.45 -31.89 60.45 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.988 0.899 . . . . 0.0 110.928 177.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.52 ' HB3' ' O ' ' A' ' 25' ' ' GLY . 2.5 ttm180 -54.44 -44.35 72.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.021 0.915 . . . . 0.0 110.967 174.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.458 HD21 ' N ' ' A' ' 29' ' ' LEU . 2.5 mt -75.06 -33.08 61.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.811 0.815 . . . . 0.0 111.28 174.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.93 -31.36 39.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.829 0.824 . . . . 0.0 111.204 -177.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -66.31 -48.15 71.25 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.019 0.914 . . . . 0.0 110.985 175.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -105.61 52.68 0.69 Allowed Glycine 0 C--N 1.321 -0.301 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 174.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.54 104.39 0.17 Allowed Glycine 0 C--N 1.32 -0.324 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -67.12 -72.0 0.18 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.024 0.916 . . . . 0.0 110.994 176.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -133.17 42.35 1.38 Allowed Glycine 0 C--N 1.32 -0.34 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 175.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -135.52 14.89 3.43 Favored 'General case' 0 C--O 1.242 0.687 0 O-C-N 121.913 -0.757 . . . . 0.0 112.386 175.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.6 m-90 . . . . . 1 C--O 1.382 8.035 0 CA-C-O 121.888 0.851 . . . . 0.0 111.793 -175.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.787 ' HB3' ' CD1' ' A' ' 2' ' ' TYR . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.564 0 CA-C-O 121.869 0.842 . . . . 0.0 110.97 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.787 ' CD1' ' HB3' ' A' ' 1' ' ' LYS . 0.9 OUTLIER 53.43 45.61 27.96 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.339 1.066 . . . . 0.0 110.777 179.122 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.439 ' HD2' ' H1 ' ' A' ' 1' ' ' LYS . 0.7 OUTLIER -87.06 20.51 2.65 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.746 178.609 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.49 -31.79 60.47 Favored Glycine 0 N--CA 1.464 0.525 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 174.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -73.01 -56.03 5.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.058 0.932 . . . . 0.0 110.936 174.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.61 72.42 0.27 Allowed Glycine 0 C--N 1.32 -0.306 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER -102.77 -35.52 3.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 122.039 0.923 . . . . 0.0 110.996 178.812 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.4 t60 57.56 60.67 2.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.101 0.953 . . . . 0.0 110.947 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -58.38 116.64 3.75 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.235 1.017 . . . . 0.0 110.711 -179.382 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.47 -162.83 0.94 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.046 0.927 . . . . 0.0 111.043 176.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -103.81 38.15 1.89 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.039 0.923 . . . . 0.0 110.93 175.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.72 44.71 0.06 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.105 0.955 . . . . 0.0 110.854 174.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.65 134.94 4.1 Favored Glycine 0 N--CA 1.462 0.386 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 -174.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.646 ' O ' HG23 ' A' ' 7' ' ' VAL . 93.3 m -133.55 -58.35 0.88 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.049 0.928 . . . . 0.0 111.562 -174.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.7 m -85.81 85.97 7.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.236 1.017 . . . . 0.0 111.048 -175.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.509 HG13 HG23 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -79.45 148.96 5.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 122.015 0.912 . . . . 0.0 111.048 177.138 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -94.43 102.17 14.12 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.954 0.883 . . . . 0.0 110.974 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -80.72 -31.92 35.94 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.89 0.852 . . . . 0.0 111.126 -174.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.93 -41.89 95.14 Favored Glycine 0 N--CA 1.461 0.318 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 175.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.65 -33.28 73.68 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.97 0.89 . . . . 0.0 111.009 177.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.59 -25.75 63.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.452 0.644 . . . . 0.0 111.167 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.39 -27.52 59.11 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.55 -0.719 . . . . 0.0 110.322 173.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 t -77.71 -28.32 50.9 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.914 0.864 . . . . 0.0 110.39 172.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.64 -25.17 33.37 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.337 0.589 . . . . 0.0 111.625 174.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.82 -41.92 9.33 Favored Glycine 0 N--CA 1.466 0.641 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 174.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 t -54.02 -41.22 49.05 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.496 0 CA-C-O 122.038 0.923 . . . . 0.0 110.612 172.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -34.6 72.72 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.015 0.912 . . . . 0.0 110.988 177.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.534 ' HB3' HD22 ' A' ' 29' ' ' LEU . 21.4 ttp85 -51.57 -45.2 62.99 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.008 0.908 . . . . 0.0 110.987 175.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.534 HD22 ' HB3' ' A' ' 28' ' ' ARG . 1.6 mt -85.21 -34.88 21.93 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.926 0.87 . . . . 0.0 111.181 -176.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.36 -3.67 15.12 Favored 'General case' 0 C--O 1.244 0.791 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -48.48 -33.77 10.0 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.149 -0.97 . . . . 0.0 111.413 174.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.15 -92.61 1.13 Allowed Glycine 0 C--N 1.32 -0.315 0 CA-C-O 122.068 0.816 . . . . 0.0 111.068 -175.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.06 167.94 34.2 Favored Glycine 0 CA--C 1.509 -0.307 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -175.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -62.11 -38.7 89.9 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.945 0.878 . . . . 0.0 110.961 -177.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -127.77 -99.52 1.02 Allowed Glycine 0 C--N 1.32 -0.348 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -175.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.618 ' HB3' ' CE3' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -109.36 -43.74 4.06 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.997 0.903 . . . . 0.0 111.002 -178.67 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.618 ' CE3' ' HB3' ' A' ' 36' ' ' PHE . 1.0 OUTLIER . . . . . 1 C--O 1.38 7.959 0 CA-C-O 121.981 0.896 . . . . 0.0 111.005 -175.834 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.513 -0.447 0 CA-C-O 122.926 1.346 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 1.106 ' HB3' HG22 ' A' ' 7' ' ' VAL . 9.2 p90 -174.77 61.02 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.854 1.311 . . . . 0.0 109.769 178.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -94.47 22.05 6.54 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 124.467 1.107 . . . . 0.0 112.434 -171.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.48 -13.27 20.91 Favored Glycine 0 C--O 1.242 0.637 0 O-C-N 121.254 -0.904 . . . . 0.0 112.737 -173.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -47.23 -60.43 2.49 Favored 'General case' 0 C--N 1.318 -0.773 0 O-C-N 121.355 -1.085 . . . . 0.0 111.669 176.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.59 77.26 0.02 OUTLIER Glycine 0 C--N 1.32 -0.31 0 CA-C-O 122.018 0.788 . . . . 0.0 111.617 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 1.106 HG22 ' HB3' ' A' ' 2' ' ' TYR . 2.4 t -89.15 -25.24 5.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 O-C-N 122.027 -0.69 . . . . 0.0 111.185 174.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.7 t60 60.78 59.95 2.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.906 0.86 . . . . 0.0 110.695 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.0 m -47.29 147.75 1.48 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.865 0.84 . . . . 0.0 111.017 174.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.7 p -145.3 -159.65 1.03 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.695 0.759 . . . . 0.0 110.888 178.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.482 ' H ' ' HG3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -99.37 36.76 1.68 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.026 0.917 . . . . 0.0 110.888 174.638 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -136.28 -43.4 0.63 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.073 0.94 . . . . 0.0 110.84 174.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 165.62 159.24 11.46 Favored Glycine 0 C--N 1.32 -0.326 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 174.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.679 ' HB3' HG12 ' A' ' 7' ' ' VAL . 57.7 m -90.8 -140.37 0.16 Allowed 'General case' 0 C--O 1.246 0.911 0 O-C-N 121.961 -0.729 . . . . 0.0 109.816 174.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.75 81.62 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.797 0 O-C-N 121.498 -0.751 . . . . 0.0 111.847 -177.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.542 ' CG1' ' CE2' ' A' ' 18' ' ' TRP . 99.6 t -137.15 91.78 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.687 0.755 . . . . 0.0 112.511 -174.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.453 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 60.9 t30 -83.51 -9.93 58.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.487 0.661 . . . . 0.0 111.96 171.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.542 ' CE2' ' CG1' ' A' ' 16' ' ' VAL . 72.7 m95 58.74 -7.96 0.04 OUTLIER 'General case' 0 C--O 1.249 1.067 0 N-CA-C 117.476 2.399 . . . . 0.0 117.476 -172.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 17' ' ' ASN . . . -105.85 -37.63 2.52 Favored Glycine 0 C--N 1.315 -0.633 0 CA-C-O 123.799 1.777 . . . . 0.0 108.85 171.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.453 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 3.3 mt-10 -79.21 -13.54 59.63 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-N 114.141 -1.029 . . . . 0.0 111.397 172.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.43 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . . . -78.55 -31.08 47.25 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.026 0.917 . . . . 0.0 110.572 173.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -77.02 -29.09 55.2 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.53 0.681 . . . . 0.0 110.217 173.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.816 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -77.9 -27.19 49.5 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.019 0.914 . . . . 0.0 110.336 171.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.43 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . . . -82.75 -23.62 33.9 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.26 0.552 . . . . 0.0 111.679 174.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.435 ' O ' ' HB3' ' A' ' 28' ' ' ARG . . . -83.74 -44.6 6.74 Favored Glycine 0 N--CA 1.466 0.646 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 174.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.4 t -55.69 -37.19 45.52 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 CA-C-O 122.086 0.946 . . . . 0.0 110.553 172.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.816 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -78.46 -30.34 47.38 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.952 0.882 . . . . 0.0 111.016 179.435 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.488 ' HG3' HD21 ' A' ' 29' ' ' LEU . 11.3 tpt180 -56.4 -39.95 73.85 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.996 0.903 . . . . 0.0 110.923 174.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.631 HD21 ' N ' ' A' ' 29' ' ' LEU . 1.3 mt -84.64 -29.93 25.32 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.712 0.768 . . . . 0.0 111.196 175.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.632 ' HB1' ' CE2' ' A' ' 36' ' ' PHE . . . -90.81 21.97 3.83 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 121.82 -0.55 . . . . 0.0 112.311 178.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -69.99 -39.04 76.15 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.957 0.884 . . . . 0.0 110.94 174.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.42 -48.43 1.55 Allowed Glycine 0 C--N 1.32 -0.335 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -178.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.82 84.43 0.4 Allowed Glycine 0 C--N 1.32 -0.356 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.85 -65.82 0.96 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.056 0.931 . . . . 0.0 111.033 176.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -126.64 50.38 0.88 Allowed Glycine 0 N--CA 1.46 0.3 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.632 ' CE2' ' HB1' ' A' ' 30' ' ' ALA . 4.4 t80 -90.4 -31.76 16.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.591 0.71 . . . . 0.0 111.232 -179.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 1 C--O 1.379 7.918 0 CA-C-O 121.931 0.872 . . . . 0.0 110.833 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt . . . . . 0 CA--C 1.51 -0.584 0 CA-C-O 121.942 0.877 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -169.29 60.46 0.05 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.925 0.869 . . . . 0.0 110.992 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.439 ' HD1' ' C ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -96.55 26.31 4.52 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.547 0.689 . . . . 0.0 111.37 -179.509 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.32 -78.17 0.06 OUTLIER Glycine 0 N--CA 1.462 0.404 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -174.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -148.94 132.37 16.63 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.287 1.041 . . . . 0.0 111.487 -175.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.498 ' O ' HG21 ' A' ' 7' ' ' VAL . . . 143.16 -16.69 2.33 Favored Glycine 0 C--N 1.32 -0.318 0 CA-C-N 115.694 -0.685 . . . . 0.0 114.673 173.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.498 HG21 ' O ' ' A' ' 6' ' ' GLY . 78.8 t -166.37 -61.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 122.462 1.125 . . . . 0.0 110.64 -174.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.8 t60 62.84 85.36 0.13 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 122.059 0.933 . . . . 0.0 111.065 -174.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.448 ' SG ' HG11 ' A' ' 7' ' ' VAL . 19.9 m -118.15 90.55 3.36 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.959 0.885 . . . . 0.0 110.839 174.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.2 m -55.69 -78.2 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.883 0.849 . . . . 0.0 111.262 -174.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.7 -36.85 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.852 1.31 . . . . 0.0 112.914 -174.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.3 t -75.96 -31.99 59.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.596 -1.183 . . . . 0.0 110.941 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 165.18 143.51 3.75 Favored Glycine 0 C--N 1.32 -0.324 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 174.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 95.5 m -65.99 -83.69 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.894 -0.769 . . . . 0.0 110.906 -176.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.7 m 52.91 32.83 13.23 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.887 0.851 . . . . 0.0 111.23 175.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -54.86 124.96 8.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.98 0.895 . . . . 0.0 110.951 -176.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.836 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 13.7 t-20 -81.69 136.66 35.48 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.001 0.905 . . . . 0.0 111.013 177.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -90.13 -28.26 19.07 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.781 0.8 . . . . 0.0 111.325 -174.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.39 -33.62 34.73 Favored Glycine 0 N--CA 1.462 0.37 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 174.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.836 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -74.48 -27.22 60.48 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 122.058 -0.672 . . . . 0.0 111.31 175.364 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.418 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . . . -78.02 -28.42 49.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.566 0.698 . . . . 0.0 111.314 176.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -76.83 -28.55 55.55 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.622 0.725 . . . . 0.0 110.208 173.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.686 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -78.64 -27.7 45.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.784 0.802 . . . . 0.0 110.332 172.442 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.418 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . . . -82.33 -23.81 34.92 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.339 0.59 . . . . 0.0 111.533 174.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.97 -45.08 6.82 Favored Glycine 0 N--CA 1.467 0.719 0 N-CA-C 109.081 -1.607 . . . . 0.0 109.081 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.532 HG11 ' HE2' ' A' ' 36' ' ' PHE . 6.6 t -56.07 -33.27 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 122.515 1.15 . . . . 0.0 110.452 172.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.686 ' HB2' ' O ' ' A' ' 23' ' ' SER . 1.2 t-80 -72.01 -36.71 69.8 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.966 0.889 . . . . 0.0 111.019 174.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.09 -57.62 10.4 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.121 0.962 . . . . 0.0 110.727 176.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -59.46 -38.59 81.17 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.098 0.952 . . . . 0.0 110.942 174.526 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.585 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . . . -63.07 -19.5 64.46 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.203 -175.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -51.77 -37.11 49.98 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.358 -0.838 . . . . 0.0 111.4 -177.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.14 -77.2 0.18 Allowed Glycine 0 C--N 1.32 -0.356 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.16 -154.71 2.84 Favored Glycine 0 C--N 1.32 -0.358 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -82.6 -77.58 0.23 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.0 0.905 . . . . 0.0 110.977 177.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -125.88 -97.01 1.06 Allowed Glycine 0 C--N 1.32 -0.33 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -175.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.532 ' HE2' HG11 ' A' ' 26' ' ' VAL . 1.1 t80 -134.74 -59.58 0.8 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.514 1.15 . . . . 0.0 110.934 -177.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 1 C--O 1.38 7.942 0 CA-C-O 122.021 0.915 . . . . 0.0 111.005 179.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.531 ' HB3' ' CE1' ' A' ' 2' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.563 0 CA-C-O 121.907 0.86 . . . . 0.0 111.113 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.531 ' CE1' ' HB3' ' A' ' 1' ' ' LYS . 0.0 OUTLIER 61.97 53.94 2.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.886 1.327 . . . . 0.0 109.92 -178.856 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -92.17 18.03 8.73 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 124.082 0.953 . . . . 0.0 112.73 -171.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.45 85.95 0.02 OUTLIER Glycine 0 C--N 1.319 -0.385 0 O-C-N 121.327 -0.858 . . . . 0.0 112.188 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -88.41 -38.55 14.97 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.27 1.033 . . . . 0.0 110.638 174.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -148.39 31.54 1.27 Allowed Glycine 0 C--N 1.32 -0.323 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 174.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.679 HG23 ' HB ' ' A' ' 16' ' ' VAL . 48.8 t -99.01 -67.8 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 122.079 0.942 . . . . 0.0 110.884 -174.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.3 t60 60.01 80.04 0.22 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.032 0.92 . . . . 0.0 111.336 174.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.46 117.62 6.42 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.457 0.646 . . . . 0.0 110.605 174.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.83 -85.07 0.57 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.754 0.787 . . . . 0.0 111.945 -173.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.493 ' HG2' ' H ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -96.46 -101.41 0.18 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.826 0.822 . . . . 0.0 110.447 -173.563 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.9 m -47.57 -26.13 1.36 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.931 -174.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.16 -141.48 8.54 Favored Glycine 0 N--CA 1.462 0.373 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 174.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.4 m -94.41 -88.35 0.24 Allowed 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.864 -0.786 . . . . 0.0 110.652 174.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m 48.64 55.98 8.27 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.854 0.835 . . . . 0.0 111.217 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.679 ' HB ' HG23 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -52.93 106.57 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 122.015 0.912 . . . . 0.0 111.174 -174.624 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -51.53 101.44 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.982 0.896 . . . . 0.0 111.005 174.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -64.6 -25.54 68.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.491 0.662 . . . . 0.0 111.416 -174.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.86 -48.74 81.88 Favored Glycine 0 N--CA 1.461 0.321 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 174.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -62.94 -34.31 77.2 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.837 0.827 . . . . 0.0 111.065 -177.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.79 -24.15 61.69 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.444 0.64 . . . . 0.0 111.304 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.461 ' CE1' ' CG2' ' A' ' 26' ' ' VAL . 1.7 t80 -76.13 -28.33 57.39 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.521 -0.737 . . . . 0.0 110.282 173.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.6 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 1.2 t -77.81 -28.43 50.32 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.908 0.861 . . . . 0.0 110.375 172.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.3 -22.49 32.94 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.185 0.517 . . . . 0.0 111.783 174.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.531 ' O ' ' HB2' ' A' ' 28' ' ' ARG . . . -83.84 -43.77 7.07 Favored Glycine 0 N--CA 1.466 0.66 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 174.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.464 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 4.8 t -56.01 -36.44 44.65 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 CA-C-O 122.236 1.017 . . . . 0.0 110.531 172.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.6 ' HB2' ' O ' ' A' ' 23' ' ' SER . 1.2 t-80 -69.34 -38.42 78.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.012 0.911 . . . . 0.0 110.904 174.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.531 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 12.1 mtp180 -52.48 -52.49 54.12 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.995 0.902 . . . . 0.0 111.002 175.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.583 HD21 ' N ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -73.42 -33.51 64.98 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.793 0.806 . . . . 0.0 111.259 178.085 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.464 ' HB1' ' O ' ' A' ' 26' ' ' VAL . . . -54.94 -27.33 42.69 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.787 -0.571 . . . . 0.0 111.823 -175.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -52.69 -41.86 64.28 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.804 0.811 . . . . 0.0 111.412 -174.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.99 -54.27 38.89 Favored Glycine 0 C--N 1.319 -0.37 0 CA-C-O 121.912 0.729 . . . . 0.0 111.298 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.15 -152.74 24.82 Favored Glycine 0 C--N 1.32 -0.331 0 CA-C-O 122.071 0.817 . . . . 0.0 111.237 -174.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -114.05 -34.14 5.48 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.822 0.82 . . . . 0.0 111.138 176.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -118.5 -98.39 1.87 Allowed Glycine 0 N--CA 1.461 0.33 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -174.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -115.93 -62.32 1.61 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.48 1.133 . . . . 0.0 110.967 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 . . . . . 1 C--O 1.38 7.939 0 CA-C-O 122.003 0.906 . . . . 0.0 111.029 -177.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.509 -0.603 0 CA-C-O 122.197 0.998 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.452 ' HD1' ' H ' ' A' ' 2' ' ' TYR . 1.5 p90 -70.84 -5.18 28.48 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 175.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.791 ' O ' HG23 ' A' ' 7' ' ' VAL . 5.3 p90 -106.83 34.96 3.17 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 122.004 0.907 . . . . 0.0 110.963 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -17.24 -105.3 0.0 OUTLIER Glycine 0 CA--C 1.506 -0.501 0 N-CA-C 117.843 1.897 . . . . 0.0 117.843 -173.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.12 137.96 35.93 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 121.323 -1.104 . . . . 0.0 111.309 177.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 97.01 26.95 9.81 Favored Glycine 0 C--O 1.242 0.606 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.643 174.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -85.26 -34.54 8.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 O-C-N 121.361 -1.082 . . . . 0.0 110.839 174.445 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.6 t60 62.52 88.05 0.1 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.054 0.93 . . . . 0.0 111.367 174.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 m -118.48 91.59 3.6 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.534 0.683 . . . . 0.0 110.632 174.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.94 -91.6 0.5 Allowed 'General case' 0 C--N 1.32 -0.684 0 O-C-N 121.649 -0.657 . . . . 0.0 112.148 -173.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.503 ' H ' ' HG3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -107.14 34.91 3.24 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.393 -0.817 . . . . 0.0 112.072 -173.181 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.92 60.56 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.009 0.909 . . . . 0.0 110.983 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.18 -168.6 0.7 Allowed Glycine 0 N--CA 1.464 0.501 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -174.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.0 m -68.35 -75.94 0.1 Allowed 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.664 -0.903 . . . . 0.0 110.846 174.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.98 71.33 0.5 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.012 0.91 . . . . 0.0 110.958 178.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 t -81.72 107.41 13.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.959 0.885 . . . . 0.0 111.24 -174.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.63 ' OD1' ' HG3' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -53.12 112.05 0.79 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.874 0.845 . . . . 0.0 110.786 174.446 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -79.48 -27.61 41.52 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.68 0.753 . . . . 0.0 111.444 -174.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.93 -49.51 53.87 Favored Glycine 0 N--CA 1.461 0.337 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 174.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.63 ' HG3' ' OD1' ' A' ' 17' ' ' ASN . 2.6 mm-40 -62.08 -27.89 69.23 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.947 -0.737 . . . . 0.0 111.471 176.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.06 -27.28 61.65 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.612 0.72 . . . . 0.0 111.17 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -75.83 -27.3 57.83 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.574 0.702 . . . . 0.0 110.332 173.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.4 m -78.47 -28.14 46.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.88 0.848 . . . . 0.0 110.359 172.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.01 -25.02 35.07 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.302 0.573 . . . . 0.0 111.454 174.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.524 ' HA2' ' HB2' ' A' ' 28' ' ' ARG . . . -82.14 -42.86 8.44 Favored Glycine 0 N--CA 1.465 0.632 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 174.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.35 -38.23 31.44 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.461 0 CA-C-O 122.154 0.978 . . . . 0.0 110.467 172.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -40.12 72.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 122.024 0.916 . . . . 0.0 110.886 174.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.586 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -50.47 -49.26 55.69 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.961 0.886 . . . . 0.0 111.053 176.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.605 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -71.6 -29.96 65.28 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.846 0.831 . . . . 0.0 111.173 179.654 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.64 21.32 4.07 Favored 'General case' 0 C--N 1.32 -0.714 0 O-C-N 121.811 -0.556 . . . . 0.0 112.382 176.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -94.65 -31.22 13.93 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.942 0.877 . . . . 0.0 111.054 174.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.51 -64.37 3.71 Favored Glycine 0 C--N 1.32 -0.358 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 137.1 66.9 0.05 OUTLIER Glycine 0 C--N 1.32 -0.319 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -148.69 -70.05 0.21 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.012 0.91 . . . . 0.0 111.002 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.55 -68.76 0.18 Allowed Glycine 0 N--CA 1.46 0.299 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -155.16 -56.07 0.1 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.406 1.098 . . . . 0.0 110.939 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 1 C--O 1.38 7.928 0 CA-C-O 121.979 0.895 . . . . 0.0 110.95 178.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.585 0 CA-C-O 122.034 0.921 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -156.63 69.17 0.6 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.992 0.901 . . . . 0.0 110.986 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.425 ' N ' ' HD1' ' A' ' 3' ' ' TYR . 0.9 OUTLIER -94.81 40.11 1.1 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.716 0.769 . . . . 0.0 111.294 178.638 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.52 -110.48 0.45 Allowed Glycine 0 C--N 1.319 -0.373 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -157.26 29.12 0.29 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.566 0.698 . . . . 0.0 111.671 -174.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.581 ' O ' HG21 ' A' ' 7' ' ' VAL . . . -136.6 62.96 0.59 Allowed Glycine 0 C--N 1.32 -0.325 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 178.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.581 HG21 ' O ' ' A' ' 6' ' ' GLY . 3.3 t -162.16 -62.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 122.004 0.906 . . . . 0.0 111.067 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.825 ' O ' HG23 ' A' ' 10' ' ' THR . 0.2 OUTLIER 24.44 57.41 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 126.278 1.831 . . . . 0.0 113.66 179.651 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 75.7 m -46.57 98.54 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.707 173.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.825 HG23 ' O ' ' A' ' 8' ' ' HIS . 11.2 t -172.67 28.68 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.848 0.832 . . . . 0.0 111.308 -173.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -148.18 48.92 1.05 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.019 0.914 . . . . 0.0 111.03 -174.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t 63.04 39.74 9.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.977 0.894 . . . . 0.0 110.924 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.04 159.03 9.91 Favored Glycine 0 C--N 1.32 -0.351 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -174.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 77.3 m -86.63 -107.11 0.06 Allowed 'General case' 0 C--O 1.245 0.836 0 O-C-N 121.79 -0.83 . . . . 0.0 110.594 -175.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.12 -45.81 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 122.029 0.919 . . . . 0.0 111.054 -174.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -80.1 108.9 14.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 122.108 0.956 . . . . 0.0 111.458 -174.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.997 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -66.41 129.64 40.51 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.922 0.868 . . . . 0.0 111.118 174.515 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -94.76 -39.15 10.43 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.792 0.806 . . . . 0.0 111.203 -175.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.19 -42.14 94.47 Favored Glycine 0 N--CA 1.462 0.383 0 CA-C-O 122.392 0.995 . . . . 0.0 110.696 174.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.997 ' HB2' ' HB2' ' A' ' 17' ' ' ASN . 1.6 mp0 -65.67 -26.87 67.98 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.665 0.745 . . . . 0.0 111.025 174.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.5 -25.52 63.18 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 121.589 -0.694 . . . . 0.0 111.286 174.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -76.06 -29.63 58.09 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.506 -0.746 . . . . 0.0 110.251 173.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.612 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 2.6 t -76.88 -28.18 55.28 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.814 0.816 . . . . 0.0 110.491 172.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.35 -23.97 32.26 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.263 0.554 . . . . 0.0 111.743 174.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.46 -44.48 7.38 Favored Glycine 0 N--CA 1.466 0.641 0 N-CA-C 109.148 -1.581 . . . . 0.0 109.148 174.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.6 t -55.45 -35.39 37.38 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 CA-C-O 122.453 1.121 . . . . 0.0 110.392 172.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.612 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -69.47 -36.98 77.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.013 0.911 . . . . 0.0 110.896 174.627 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.4 -58.32 7.54 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.122 0.963 . . . . 0.0 110.86 174.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 pp -61.96 -33.42 74.27 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.684 0.754 . . . . 0.0 111.302 175.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.51 27.54 3.78 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.353 0.597 . . . . 0.0 112.006 -174.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -49.24 -30.27 6.93 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.937 0.875 . . . . 0.0 111.057 174.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -111.73 -97.16 2.35 Favored Glycine 0 N--CA 1.461 0.3 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.413 ' O ' ' HB2' ' A' ' 34' ' ' ASN . . . 54.98 -113.44 3.63 Favored Glycine 0 C--N 1.321 -0.304 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 174.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 11.4 t-20 175.54 -74.3 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.95 0.881 . . . . 0.0 111.124 -176.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.48 -94.27 2.08 Favored Glycine 0 C--N 1.319 -0.37 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -153.32 -52.27 0.1 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.294 1.045 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.7 p90 . . . . . 1 C--O 1.38 7.958 0 CA-C-O 121.935 0.874 . . . . 0.0 111.137 177.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.595 0 CA-C-O 121.763 0.792 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.593 ' O ' ' HD1' ' A' ' 3' ' ' TYR . 1.8 m-85 -112.47 -21.27 11.42 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -177.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.593 ' HD1' ' O ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER 21.58 55.12 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 126.019 1.728 . . . . 0.0 113.088 179.045 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.406 ' N ' ' CG2' ' A' ' 7' ' ' VAL . . . -171.58 -70.83 0.04 OUTLIER Glycine 0 CA--C 1.508 -0.382 0 CA-C-O 121.857 0.698 . . . . 0.0 113.245 174.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.12 -73.02 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.689 0.756 . . . . 0.0 112.061 -173.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.06 -12.51 79.28 Favored Glycine 0 C--O 1.243 0.668 0 N-CA-C 114.444 0.537 . . . . 0.0 114.444 -173.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 3' ' ' TYR . 50.1 t -50.64 -37.2 15.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 O-C-N 121.294 -1.121 . . . . 0.0 111.961 -174.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 48.93 73.81 0.21 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.132 0.968 . . . . 0.0 111.819 175.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.559 ' HB3' ' O ' ' A' ' 13' ' ' GLY . 56.3 m -84.81 93.61 8.52 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.66 174.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.0 p -119.31 103.26 9.33 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.213 1.006 . . . . 0.0 112.131 -173.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.583 ' O ' ' HB2' ' A' ' 12' ' ' SER . 0.0 OUTLIER 45.7 54.6 7.58 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.045 0.926 . . . . 0.0 112.37 173.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.583 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 1.4 t 168.3 42.61 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.854 0.835 . . . . 0.0 110.699 -175.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.559 ' O ' ' HB3' ' A' ' 9' ' ' CYS . . . 54.55 -119.57 12.92 Favored Glycine 0 N--CA 1.465 0.612 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 -173.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.1 m -134.06 -74.69 0.48 Allowed 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.089 -0.653 . . . . 0.0 110.537 173.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m 47.41 26.71 0.8 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.682 0.753 . . . . 0.0 111.857 174.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.715 HG11 ' CZ2' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -69.81 138.17 22.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 122.071 0.939 . . . . 0.0 111.132 -174.449 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.697 HD21 ' HB2' ' A' ' 20' ' ' GLU . 2.6 t30 -74.96 129.37 37.53 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.959 0.885 . . . . 0.0 111.054 175.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.715 ' CZ2' HG11 ' A' ' 16' ' ' VAL . 33.3 m95 -101.21 -22.74 14.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.326 0.584 . . . . 0.0 111.71 -175.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.2 -50.78 15.67 Favored Glycine 0 N--CA 1.462 0.371 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 174.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.697 ' HB2' HD21 ' A' ' 17' ' ' ASN . 0.0 OUTLIER -67.17 -29.87 69.67 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.572 0.701 . . . . 0.0 111.229 177.629 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.3 -21.56 56.08 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.649 -0.657 . . . . 0.0 111.642 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.5 -29.79 52.67 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.419 -0.801 . . . . 0.0 110.209 173.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.557 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 3.6 m -77.45 -28.23 52.36 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.881 0.848 . . . . 0.0 110.397 172.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.22 -22.82 30.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.239 0.543 . . . . 0.0 111.803 174.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.505 ' O ' ' HB3' ' A' ' 28' ' ' ARG . . . -83.1 -42.9 7.81 Favored Glycine 0 N--CA 1.467 0.712 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 174.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -55.33 -40.32 56.45 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.481 0 CA-C-O 122.174 0.987 . . . . 0.0 110.567 172.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.557 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.1 OUTLIER -68.34 -37.35 80.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.048 0.928 . . . . 0.0 110.941 176.091 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.505 ' HB3' ' O ' ' A' ' 25' ' ' GLY . 7.2 tpp85 -54.74 -41.89 70.93 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.96 0.886 . . . . 0.0 110.977 176.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.712 HD21 ' N ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -78.58 -28.02 45.77 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.615 0.721 . . . . 0.0 111.377 175.789 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.8 29.1 2.79 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.687 -0.633 . . . . 0.0 112.004 178.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -47.33 -30.32 3.1 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.77 0.795 . . . . 0.0 111.337 174.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.86 -36.08 0.37 Allowed Glycine 0 N--CA 1.461 0.358 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.13 -109.51 0.05 OUTLIER Glycine 0 C--N 1.32 -0.32 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -174.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 174.37 91.02 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.653 1.216 . . . . 0.0 111.148 -175.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -118.63 37.04 3.36 Favored Glycine 0 CA--C 1.511 -0.207 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.057 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 1.062 ' HB3' ' CE3' ' A' ' 37' ' ' TRP . 30.2 m-85 -108.98 -50.65 2.98 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.22 1.009 . . . . 0.0 110.969 176.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 1.062 ' CE3' ' HB3' ' A' ' 36' ' ' PHE . 0.6 OUTLIER . . . . . 1 C--O 1.381 7.975 0 CA-C-O 122.251 1.024 . . . . 0.0 110.991 -179.408 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.749 ' HB2' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.558 0 CA-C-O 121.583 0.706 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -92.48 -24.55 18.77 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.749 ' CD2' ' HB2' ' A' ' 1' ' ' LYS . 56.8 m-85 26.36 47.9 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 125.318 1.447 . . . . 0.0 112.861 -176.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.35 -120.66 0.92 Allowed Glycine 0 N--CA 1.461 0.317 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 176.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.5 ' O ' HG21 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -143.47 -99.64 0.12 Allowed 'General case' 0 C--O 1.248 0.987 0 O-C-N 122.073 -0.663 . . . . 0.0 110.585 174.591 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.589 ' O ' HG23 ' A' ' 16' ' ' VAL . . . 67.2 2.84 21.15 Favored Glycine 0 N--CA 1.462 0.391 0 O-C-N 121.132 -0.98 . . . . 0.0 114.639 177.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.5 HG21 ' O ' ' A' ' 5' ' ' ASN . 97.0 t -108.2 59.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 122.468 1.127 . . . . 0.0 111.42 -173.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -95.58 49.43 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 122.968 1.366 . . . . 0.0 110.404 173.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 65.3 m -52.59 147.67 8.15 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.3 p -116.15 -155.84 0.59 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.368 0.604 . . . . 0.0 110.77 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.455 ' H ' ' HG2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -95.41 39.19 1.13 Allowed 'General case' 0 C--N 1.32 -0.705 0 O-C-N 121.485 -0.76 . . . . 0.0 111.458 177.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.85 -43.24 0.43 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.1 0.952 . . . . 0.0 110.914 174.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.45 -125.53 0.85 Allowed Glycine 0 N--CA 1.46 0.245 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 174.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.4 m -137.2 -70.78 0.45 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.877 0.846 . . . . 0.0 110.916 174.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.59 83.22 0.06 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.996 0.903 . . . . 0.0 111.057 175.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.641 HG12 ' CH2' ' A' ' 18' ' ' TRP . 15.2 t -80.77 136.51 23.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.983 0.897 . . . . 0.0 111.01 177.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.723 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 2.0 t-20 -96.53 114.09 25.72 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.908 0.861 . . . . 0.0 110.963 174.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.641 ' CH2' HG12 ' A' ' 16' ' ' VAL . 22.9 m95 -89.91 -32.2 16.95 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.896 0.855 . . . . 0.0 111.118 -175.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.47 -37.48 35.65 Favored Glycine 0 C--N 1.32 -0.313 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 174.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.723 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 3.3 mm-40 -72.25 -27.62 62.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.554 0.692 . . . . 0.0 111.296 174.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.445 ' HB1' ' O ' ' A' ' 17' ' ' ASN . . . -76.72 -26.04 54.21 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 121.575 -0.703 . . . . 0.0 111.265 177.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -76.92 -30.11 55.98 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.541 -0.725 . . . . 0.0 110.247 173.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.59 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 1.5 t -77.99 -27.22 48.99 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.763 0.792 . . . . 0.0 110.464 172.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.431 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . . . -83.06 -24.93 32.53 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.307 0.575 . . . . 0.0 111.485 174.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.49 -46.02 7.09 Favored Glycine 0 N--CA 1.467 0.738 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 175.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.6 t -54.97 -36.67 39.17 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 CA-C-O 122.581 1.182 . . . . 0.0 110.456 172.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.59 ' HB2' ' O ' ' A' ' 23' ' ' SER . 47.9 t-80 -69.51 -35.1 75.2 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.09 176.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -49.21 74.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.258 1.028 . . . . 0.0 110.857 175.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -31.99 59.46 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.383 178.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.23 23.02 6.13 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.593 -0.692 . . . . 0.0 112.36 -174.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -51.15 -36.44 40.96 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.955 0.883 . . . . 0.0 110.887 174.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -88.66 -62.24 1.4 Allowed Glycine 0 C--N 1.319 -0.373 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -176.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.91 65.34 1.83 Allowed Glycine 0 C--N 1.32 -0.338 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 176.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -103.27 32.71 3.63 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.934 0.873 . . . . 0.0 111.111 -177.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.75 83.92 1.58 Allowed Glycine 0 C--N 1.32 -0.358 0 CA-C-O 122.075 0.819 . . . . 0.0 111.059 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -95.43 -41.33 9.04 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.064 0.935 . . . . 0.0 111.034 177.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.8 p90 . . . . . 1 C--O 1.38 7.935 0 CA-C-O 121.967 0.889 . . . . 0.0 110.95 177.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm . . . . . 0 CA--C 1.512 -0.487 0 CA-C-O 122.317 1.056 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -124.55 38.21 4.24 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.334 1.064 . . . . 0.0 110.452 174.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -95.5 23.5 5.96 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.572 0.701 . . . . 0.0 111.771 -173.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.17 52.64 34.92 Favored Glycine 0 N--CA 1.461 0.341 0 O-C-N 121.349 -0.845 . . . . 0.0 111.164 -174.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -135.46 -52.14 0.76 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.898 0.856 . . . . 0.0 111.033 -177.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -111.3 -61.34 0.47 Allowed Glycine 0 C--N 1.319 -0.379 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -174.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.797 HG11 ' SG ' ' A' ' 9' ' ' CYS . 0.9 OUTLIER -55.72 -68.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 122.111 0.958 . . . . 0.0 110.969 -175.172 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.552 ' N ' HG13 ' A' ' 7' ' ' VAL . 0.5 OUTLIER 59.54 60.03 2.4 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.051 0.929 . . . . 0.0 110.973 174.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.797 ' SG ' HG11 ' A' ' 7' ' ' VAL . 48.0 m -102.03 127.56 48.85 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.829 0.823 . . . . 0.0 110.889 174.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.75 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 2.4 m -111.72 64.31 0.62 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.718 0.77 . . . . 0.0 111.188 -174.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.75 ' HG2' ' O ' ' A' ' 10' ' ' THR . 0.0 OUTLIER 44.28 55.5 5.51 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.966 0.889 . . . . 0.0 112.047 174.73 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.53 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 8.4 t 177.59 -56.35 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.037 0.922 . . . . 0.0 111.112 178.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.69 -156.81 7.06 Favored Glycine 0 C--N 1.321 -0.303 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 174.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.602 ' HB3' HG13 ' A' ' 16' ' ' VAL . 61.9 m -142.12 -52.01 0.41 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.155 0.979 . . . . 0.0 110.96 -175.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 73.61 14.52 4.24 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.453 175.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.602 HG13 ' HB3' ' A' ' 14' ' ' CYS . 0.2 OUTLIER -85.56 93.18 3.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 O-C-N 121.182 -0.949 . . . . 0.0 110.829 174.538 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 1.019 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 1.5 t-20 -78.19 143.88 36.8 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.884 0.85 . . . . 0.0 110.832 175.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 26.8 m95 -83.06 -36.97 24.49 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.926 0.869 . . . . 0.0 110.849 -178.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.69 -45.66 57.69 Favored Glycine 0 N--CA 1.462 0.401 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 174.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 1.019 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 1.5 mp0 -68.18 -16.56 64.04 Favored 'General case' 0 C--O 1.242 0.665 0 O-C-N 122.256 -0.555 . . . . 0.0 111.74 174.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.54 ' HB1' ' O ' ' A' ' 17' ' ' ASN . . . -74.74 -27.71 60.47 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.297 -0.877 . . . . 0.0 111.018 174.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -79.08 -27.63 43.02 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.571 0.701 . . . . 0.0 110.107 172.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.781 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -76.48 -26.55 55.45 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.621 0.724 . . . . 0.0 110.215 171.595 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.65 -29.72 27.42 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.621 0.724 . . . . 0.0 111.223 174.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.2 -40.4 34.26 Favored Glycine 0 N--CA 1.468 0.824 0 N-CA-C 108.209 -1.956 . . . . 0.0 108.209 174.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 t -60.25 -40.0 82.41 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-O 122.944 1.354 . . . . 0.0 110.25 171.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.781 ' HB2' ' O ' ' A' ' 23' ' ' SER . 44.2 t-80 -75.25 -16.02 60.49 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.05 -177.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.5 tmm_? -83.97 -57.35 3.23 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.32 -0.862 . . . . 0.0 111.302 173.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.575 HD22 ' N ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -53.92 -39.32 65.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.106 0.955 . . . . 0.0 110.853 174.869 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.12 -33.02 44.66 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.646 0.736 . . . . 0.0 111.416 175.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 50.64 19.71 0.63 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.456 1.122 . . . . 0.0 111.45 -173.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.67 94.77 0.1 Allowed Glycine 0 N--CA 1.461 0.35 0 O-C-N 120.782 -1.199 . . . . 0.0 110.871 -174.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.7 -47.36 58.39 Favored Glycine 0 N--CA 1.46 0.282 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -177.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.4 t30 74.65 37.41 0.54 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.06 0.934 . . . . 0.0 111.869 174.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.571 ' C ' ' HD1' ' A' ' 36' ' ' PHE . . . 138.18 71.01 0.05 OUTLIER Glycine 0 CA--C 1.509 -0.302 0 CA-C-O 121.841 0.689 . . . . 0.0 112.018 174.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.68 ' HB3' ' CE3' ' A' ' 37' ' ' TRP . 2.6 m-85 -134.66 -48.18 0.75 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.068 0.937 . . . . 0.0 111.02 176.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.68 ' CE3' ' HB3' ' A' ' 36' ' ' PHE . 0.1 OUTLIER . . . . . 1 C--O 1.381 7.982 0 CA-C-O 121.943 0.878 . . . . 0.0 111.006 -179.249 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.509 -0.6 0 CA-C-O 121.886 0.85 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.527 ' C ' ' HD1' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -121.96 -0.29 9.55 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 174.741 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.582 ' N ' ' HD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 26.06 54.07 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 123.252 1.501 . . . . 0.0 112.684 -179.095 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.78 136.19 1.12 Allowed Glycine 0 CA--C 1.51 -0.227 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.827 174.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -156.07 -66.51 0.11 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.013 0.911 . . . . 0.0 111.007 174.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 157.74 49.9 0.01 OUTLIER Glycine 0 C--N 1.321 -0.298 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.851 HG23 HG23 ' A' ' 16' ' ' VAL . 2.6 t -144.49 59.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 122.005 0.907 . . . . 0.0 110.971 175.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.46 ' O ' ' CG ' ' A' ' 8' ' ' HIS . 0.2 OUTLIER -150.92 77.89 1.28 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 124.138 1.923 . . . . 0.0 110.359 -179.806 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -44.4 101.3 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 114.635 -1.166 . . . . 0.0 111.64 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 1.028 HG23 ' HG2' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -124.72 -44.95 1.93 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.805 0.812 . . . . 0.0 111.201 -174.566 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 1.028 ' HG2' HG23 ' A' ' 10' ' ' THR . 9.0 mmmt -96.95 -100.65 0.18 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.913 0.863 . . . . 0.0 110.074 -174.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.458 ' H ' ' HB2' ' A' ' 11' ' ' LYS . 4.6 m -127.54 46.78 2.48 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.018 0.913 . . . . 0.0 111.006 -178.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.79 159.62 8.02 Favored Glycine 0 C--N 1.32 -0.334 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 m -80.01 -53.7 6.48 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.253 1.025 . . . . 0.0 110.931 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 82.27 28.93 0.13 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.13 0.967 . . . . 0.0 110.985 176.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.851 HG23 HG23 ' A' ' 7' ' ' VAL . 1.7 t -70.85 147.95 10.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.91 0.862 . . . . 0.0 110.904 -177.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.843 ' CG ' ' HB2' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -78.26 112.09 14.89 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.951 0.881 . . . . 0.0 110.941 -177.545 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -88.32 -26.83 22.05 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.624 0.726 . . . . 0.0 111.359 -174.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.0 -31.94 41.53 Favored Glycine 0 N--CA 1.461 0.338 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 174.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.843 ' HB2' ' CG ' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -74.19 -31.98 62.88 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.833 0.825 . . . . 0.0 111.125 176.35 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . . . -78.37 -21.8 48.87 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.29 0.567 . . . . 0.0 111.493 175.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -30.74 56.5 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.448 -0.783 . . . . 0.0 110.253 173.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 25.2 t -78.24 -27.42 47.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.806 0.813 . . . . 0.0 110.391 173.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.427 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . . . -84.56 -21.81 30.31 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.159 0.504 . . . . 0.0 111.768 174.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.89 -44.72 6.64 Favored Glycine 0 N--CA 1.466 0.679 0 N-CA-C 109.13 -1.588 . . . . 0.0 109.13 174.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.5 t -55.02 -38.55 46.29 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.47 0 CA-C-O 122.206 1.003 . . . . 0.0 110.523 172.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 23' ' ' SER . 7.1 t-160 -68.63 -38.1 80.26 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.002 0.905 . . . . 0.0 110.909 175.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -50.29 68.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.994 0.902 . . . . 0.0 111.039 178.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.601 HD21 ' N ' ' A' ' 29' ' ' LEU . 1.3 mt -71.79 -29.59 64.62 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.44 0.638 . . . . 0.0 111.442 -179.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.94 19.6 3.5 Favored 'General case' 0 C--O 1.243 0.763 0 O-C-N 121.518 -0.739 . . . . 0.0 112.696 -174.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -58.22 -36.19 72.8 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.209 -0.932 . . . . 0.0 110.859 174.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.76 49.89 0.74 Allowed Glycine 0 C--N 1.319 -0.366 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.38 -42.73 0.87 Allowed Glycine 0 C--N 1.32 -0.332 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 61.31 30.8 19.28 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.83 0.824 . . . . 0.0 111.287 -175.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -89.14 -50.94 3.1 Favored Glycine 0 C--N 1.319 -0.387 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -115.66 5.67 14.34 Favored 'General case' 0 C--O 1.244 0.808 0 O-C-N 121.911 -0.758 . . . . 0.0 112.743 177.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 . . . . . 1 C--O 1.38 7.942 0 CA-C-O 122.019 0.914 . . . . 0.0 111.482 -174.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.611 ' C ' ' HD1' ' A' ' 2' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.557 0 CA-C-O 121.944 0.878 . . . . 0.0 111.096 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.611 ' HD1' ' C ' ' A' ' 1' ' ' LYS . 0.3 OUTLIER 176.03 75.35 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.056 0.932 . . . . 0.0 111.104 -177.527 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.578 ' HA ' HG22 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -95.02 18.52 11.92 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 123.556 0.742 . . . . 0.0 111.451 -174.451 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.75 -137.14 0.19 Allowed Glycine 0 CA--C 1.508 -0.391 0 CA-C-O 123.135 1.408 . . . . 0.0 113.118 -172.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -67.63 123.47 20.55 Favored 'General case' 0 CA--C 1.51 -0.591 0 O-C-N 121.45 -1.029 . . . . 0.0 110.973 -174.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 88.74 39.82 6.49 Favored Glycine 0 C--N 1.32 -0.314 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 178.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.578 HG22 ' HA ' ' A' ' 3' ' ' TYR . 3.5 t -127.61 -48.39 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.955 0.883 . . . . 0.0 110.978 174.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.5 t60 61.14 66.99 0.83 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.008 0.908 . . . . 0.0 110.967 -177.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.535 ' HB2' ' HB3' ' A' ' 14' ' ' CYS . 42.7 t -80.95 95.59 6.81 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.002 0.906 . . . . 0.0 110.989 176.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.65 HG21 ' N ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -101.65 -159.42 0.73 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.347 0.594 . . . . 0.0 110.704 -174.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.65 ' N ' HG21 ' A' ' 10' ' ' THR . 0.0 OUTLIER -96.45 37.11 1.29 Allowed 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.413 -0.804 . . . . 0.0 111.358 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 m -134.44 -42.9 0.77 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.107 0.956 . . . . 0.0 110.795 174.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.77 147.87 5.77 Favored Glycine 0 N--CA 1.461 0.308 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 174.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -111.47 -144.97 0.39 Allowed 'General case' 0 C--N 1.318 -0.77 0 O-C-N 121.875 -0.78 . . . . 0.0 109.927 -179.051 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.4 p 43.66 60.88 2.47 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.784 0.802 . . . . 0.0 111.419 -174.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.567 HG12 ' CH2' ' A' ' 18' ' ' TRP . 16.8 t -106.08 117.16 51.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.947 0.88 . . . . 0.0 111.601 -174.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -94.63 117.97 30.96 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.57 0.7 . . . . 0.0 110.58 173.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.567 ' CH2' HG12 ' A' ' 16' ' ' VAL . 49.6 m95 -88.32 -33.47 17.98 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.639 0.733 . . . . 0.0 111.591 -174.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.69 -43.85 73.71 Favored Glycine 0 N--CA 1.462 0.373 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 174.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.16 -25.29 59.64 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 122.176 -0.602 . . . . 0.0 111.526 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.512 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . . . -81.59 -18.86 43.33 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.527 -0.733 . . . . 0.0 111.753 177.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -80.59 -32.12 36.57 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.389 -0.82 . . . . 0.0 109.877 172.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 28.7 t -78.68 -30.17 45.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.816 0.817 . . . . 0.0 110.385 172.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.512 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . . . -84.81 -19.21 32.86 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.003 174.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.35 -44.65 6.13 Favored Glycine 0 N--CA 1.466 0.644 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 174.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.8 t -56.17 -38.15 52.82 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.539 0 CA-C-O 121.933 0.873 . . . . 0.0 110.68 172.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 23' ' ' SER . 1.4 m170 -75.8 -34.4 60.18 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.955 0.883 . . . . 0.0 111.038 177.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.743 ' HB3' HD22 ' A' ' 29' ' ' LEU . 1.5 ttt180 -57.08 -46.45 82.52 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.989 0.899 . . . . 0.0 110.992 177.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 1.04 HD11 ' HD2' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -80.02 -35.09 37.81 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.9 0.857 . . . . 0.0 111.07 -175.213 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.5 -46.71 57.26 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.951 0.881 . . . . 0.0 111.109 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -60.69 -48.44 81.78 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 122.019 0.914 . . . . 0.0 110.954 -176.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -123.87 -84.17 0.62 Allowed Glycine 0 C--N 1.321 -0.302 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 177.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 144.91 156.4 6.81 Favored Glycine 0 C--N 1.32 -0.354 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.416 ' HB3' ' H ' ' A' ' 35' ' ' GLY . 7.6 t-20 -145.24 -82.98 0.14 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.991 0.9 . . . . 0.0 111.024 -176.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.416 ' H ' ' HB3' ' A' ' 34' ' ' ASN . . . -150.2 60.91 0.42 Allowed Glycine 0 C--N 1.32 -0.329 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -176.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 1.04 ' HD2' HD11 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -103.73 -36.55 7.82 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.016 0.913 . . . . 0.0 111.028 176.529 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.738 ' CE3' ' HB3' ' A' ' 36' ' ' PHE . 1.4 p90 . . . . . 1 C--O 1.38 7.948 0 CA-C-O 121.979 0.895 . . . . 0.0 111.136 179.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 1.113 ' HD2' HG13 ' A' ' 7' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.578 0 CA-C-O 121.815 0.817 . . . . 0.0 110.851 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -163.42 28.68 0.09 Allowed 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.448 0.642 . . . . 0.0 112.09 -174.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 1.074 ' CE1' HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -93.47 -15.51 25.49 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 177.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.39 68.56 0.87 Allowed Glycine 0 C--N 1.318 -0.441 0 N-CA-C 111.662 -0.575 . . . . 0.0 111.662 -173.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -159.22 34.21 0.2 Allowed 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.642 -0.916 . . . . 0.0 111.88 -175.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.76 64.22 1.38 Allowed Glycine 0 C--N 1.32 -0.336 0 CA-C-O 122.058 0.81 . . . . 0.0 111.54 174.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 1.113 HG13 ' HD2' ' A' ' 1' ' ' LYS . 0.5 OUTLIER -73.45 -2.75 3.67 Favored 'Isoleucine or valine' 0 C--O 1.246 0.89 0 O-C-N 121.978 -0.719 . . . . 0.0 112.678 -178.825 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.1 t60 66.01 87.54 0.12 Allowed 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.117 -0.989 . . . . 0.0 110.771 174.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.2 m -117.74 154.99 30.77 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.012 0.91 . . . . 0.0 110.994 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.5 p -128.57 -162.52 1.2 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.004 0.907 . . . . 0.0 110.978 175.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -97.7 41.59 1.12 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.911 0.863 . . . . 0.0 111.09 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -165.26 -51.11 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.992 0.901 . . . . 0.0 111.031 174.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -164.29 148.3 14.27 Favored Glycine 0 C--N 1.32 -0.348 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.7 m -89.93 -69.56 0.71 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.943 0.878 . . . . 0.0 110.979 -174.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.1 t 67.74 100.68 0.05 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.961 0.886 . . . . 0.0 111.011 174.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.739 HG22 ' OH ' ' A' ' 3' ' ' TYR . 2.8 t -91.37 112.75 25.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.86 0.838 . . . . 0.0 111.121 -174.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.857 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -72.36 152.04 42.31 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.925 0.869 . . . . 0.0 111.025 174.657 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -110.62 -43.56 3.82 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.751 0.786 . . . . 0.0 111.015 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.32 -44.78 63.77 Favored Glycine 0 N--CA 1.463 0.434 0 CA-C-O 122.549 1.083 . . . . 0.0 110.466 174.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.857 ' HB2' ' HB2' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -66.33 -25.85 67.02 Favored 'General case' 0 CA--C 1.509 -0.599 0 O-C-N 122.03 -0.688 . . . . 0.0 111.037 174.317 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.573 ' HB1' ' O ' ' A' ' 17' ' ' ASN . . . -70.83 -26.18 63.17 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 121.586 -0.696 . . . . 0.0 111.145 174.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -76.09 -28.61 57.63 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.652 0.739 . . . . 0.0 110.251 173.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.467 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 63.9 m -77.27 -28.58 53.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.875 0.845 . . . . 0.0 110.4 172.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.97 -22.89 33.59 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.255 0.55 . . . . 0.0 111.819 174.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.63 -43.86 7.12 Favored Glycine 0 N--CA 1.465 0.62 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 174.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.1 t -55.06 -35.32 34.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 122.154 0.978 . . . . 0.0 110.55 172.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.467 ' HB2' ' O ' ' A' ' 23' ' ' SER . 7.0 t-80 -72.78 -39.02 67.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.025 0.917 . . . . 0.0 110.969 174.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.41 -37.95 51.06 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.078 0.942 . . . . 0.0 111.03 177.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.504 HD22 ' N ' ' A' ' 29' ' ' LEU . 1.2 mt -81.84 -29.37 32.6 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.724 0.773 . . . . 0.0 111.233 177.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.59 21.64 3.89 Favored 'General case' 0 C--O 1.242 0.698 0 O-C-N 121.733 -0.604 . . . . 0.0 112.373 177.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -50.93 -33.14 23.08 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.97 0.891 . . . . 0.0 110.95 174.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.69 -75.55 1.27 Allowed Glycine 0 C--N 1.32 -0.324 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 177.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.04 -93.51 0.39 Allowed Glycine 0 C--N 1.32 -0.311 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 177.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.46 ' HB2' ' H ' ' A' ' 35' ' ' GLY . 0.7 OUTLIER -108.69 -79.45 0.58 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.03 0.919 . . . . 0.0 110.951 177.489 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.46 ' H ' ' HB2' ' A' ' 34' ' ' ASN . . . 67.42 56.98 9.86 Favored Glycine 0 C--N 1.319 -0.382 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 176.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -118.57 -57.47 2.05 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.455 1.122 . . . . 0.0 110.974 174.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 1 C--O 1.38 7.955 0 CA-C-O 122.009 0.909 . . . . 0.0 111.103 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.795 ' CB ' HG12 ' A' ' 7' ' ' VAL . 2.2 pttt . . . . . 0 CA--C 1.51 -0.585 0 CA-C-O 121.843 0.83 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.597 ' C ' ' HD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -144.63 18.07 1.66 Allowed 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.705 -0.622 . . . . 0.0 112.519 174.408 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.597 ' HD1' ' C ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER 22.46 54.8 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 123.95 1.833 . . . . 0.0 112.512 -176.862 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.31 -50.33 0.09 OUTLIER Glycine 0 CA--C 1.511 -0.206 0 CA-C-N 114.744 -1.116 . . . . 0.0 111.6 174.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.51 -36.67 17.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.011 0.91 . . . . 0.0 110.98 -177.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.37 101.86 0.68 Allowed Glycine 0 C--N 1.319 -0.403 0 CA-C-O 122.982 1.323 . . . . 0.0 110.475 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.795 HG12 ' CB ' ' A' ' 1' ' ' LYS . 2.6 t -138.06 -71.01 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-O 121.99 0.9 . . . . 0.0 110.975 -178.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.5 t60 54.74 71.2 0.55 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.994 0.902 . . . . 0.0 111.056 174.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.413 ' SG ' HG11 ' A' ' 7' ' ' VAL . 88.3 m -86.96 118.82 26.59 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.98 0.895 . . . . 0.0 111.034 177.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 t -159.75 155.69 26.35 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.037 0.922 . . . . 0.0 110.993 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.15 78.88 0.21 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.054 0.93 . . . . 0.0 110.988 175.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.8 m 68.92 65.16 0.29 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.06 0.933 . . . . 0.0 110.971 175.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.86 -155.9 46.98 Favored Glycine 0 C--N 1.321 -0.298 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 175.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.4 m -97.49 -75.51 0.54 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.805 0.812 . . . . 0.0 110.924 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.0 p 46.42 51.67 11.46 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.944 0.878 . . . . 0.0 111.305 -174.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 17' ' ' ASN . 0.4 OUTLIER -96.04 147.75 5.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 122.073 0.939 . . . . 0.0 111.292 -174.819 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.462 ' O ' HG23 ' A' ' 16' ' ' VAL . 1.3 t-20 -96.15 -159.95 0.76 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.499 0.666 . . . . 0.0 110.719 174.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -145.27 -42.79 0.22 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.621 0.724 . . . . 0.0 111.559 -177.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.69 -37.25 52.23 Favored Glycine 0 N--CA 1.462 0.378 0 N-CA-C 110.551 -1.02 . . . . 0.0 110.551 174.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -73.18 -25.93 60.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.296 0.569 . . . . 0.0 111.359 174.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.507 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . . . -82.24 -17.21 46.84 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 121.568 -0.707 . . . . 0.0 112.019 176.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -84.9 -26.68 27.13 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.304 -0.873 . . . . 0.0 110.134 172.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 t -83.94 -26.31 29.39 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.749 0.785 . . . . 0.0 110.233 171.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.624 ' O ' ' HB2' ' A' ' 28' ' ' ARG . . . -86.58 -27.39 23.93 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.601 0.715 . . . . 0.0 111.228 174.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.16 -41.48 39.03 Favored Glycine 0 N--CA 1.467 0.745 0 N-CA-C 108.36 -1.896 . . . . 0.0 108.36 173.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.512 HG13 ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -47.43 -63.31 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 CA-C-O 123.476 1.608 . . . . 0.0 110.659 172.046 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.706 ' HA ' ' HB2' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -68.52 -27.65 66.3 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.053 -174.543 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.624 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 18.0 ttt180 -57.8 -37.69 74.21 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.055 0.931 . . . . 0.0 110.684 174.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.729 ' N ' HD21 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -80.47 -41.49 24.29 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.317 1.056 . . . . 0.0 110.878 174.513 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.706 ' HB2' ' HA ' ' A' ' 27' ' ' HIS . . . -60.16 -18.23 46.35 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.396 -174.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -53.79 -42.77 68.68 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 121.263 -0.898 . . . . 0.0 111.333 -174.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.65 50.84 0.44 Allowed Glycine 0 C--N 1.32 -0.34 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 175.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.84 -67.14 0.87 Allowed Glycine 0 C--N 1.32 -0.339 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -175.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 61.1 32.02 19.7 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.935 0.874 . . . . 0.0 111.137 -175.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -94.24 -56.54 1.36 Allowed Glycine 0 C--N 1.32 -0.328 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -175.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.907 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 0.7 OUTLIER -83.6 -42.03 17.19 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.975 0.893 . . . . 0.0 110.963 179.196 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.907 ' CE3' ' HB2' ' A' ' 36' ' ' PHE . 5.3 p90 . . . . . 1 C--O 1.38 7.941 0 CA-C-O 121.973 0.892 . . . . 0.0 111.008 -176.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.3 mttm . . . . . 0 CA--C 1.511 -0.551 0 CA-C-O 121.945 0.879 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.18 34.34 0.58 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.801 0.81 . . . . 0.0 111.103 176.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.553 ' N ' ' HD1' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -101.28 39.37 1.42 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.727 0.775 . . . . 0.0 110.921 178.188 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.5 144.48 3.98 Favored Glycine 0 C--N 1.318 -0.418 0 N-CA-C 110.287 -1.125 . . . . 0.0 110.287 -174.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -53.31 -176.05 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 123.725 1.726 . . . . 0.0 111.442 174.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 121.74 4.14 9.77 Favored Glycine 0 C--N 1.319 -0.362 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.924 -172.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.43 HG11 ' N ' ' A' ' 8' ' ' HIS . 2.5 t -87.46 -69.15 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 122.142 0.972 . . . . 0.0 109.926 173.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.43 ' N ' HG11 ' A' ' 7' ' ' VAL . 0.1 OUTLIER 52.05 82.86 0.06 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.786 1.279 . . . . 0.0 111.425 173.006 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -88.78 73.9 8.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 122.078 0.942 . . . . 0.0 110.848 174.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.2 p -83.44 -159.7 0.38 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.87 0.843 . . . . 0.0 110.981 -176.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -99.83 43.43 1.06 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.043 0.925 . . . . 0.0 111.021 174.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.7 t -140.34 -49.95 0.46 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.952 0.882 . . . . 0.0 111.004 174.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.55 142.48 5.94 Favored Glycine 0 C--N 1.321 -0.299 0 CA-C-O 122.029 0.794 . . . . 0.0 111.174 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 15' ' ' SER . 62.7 m -80.82 -63.02 1.5 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.093 0.949 . . . . 0.0 110.944 174.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.447 ' HB2' ' O ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER 70.19 73.02 0.22 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.953 0.883 . . . . 0.0 110.957 -174.802 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.9 t -145.65 160.13 12.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.991 0.9 . . . . 0.0 111.103 -174.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.688 ' CG ' ' HB3' ' A' ' 20' ' ' GLU . 9.6 t-20 -99.19 112.93 24.97 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.938 0.875 . . . . 0.0 110.985 174.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -94.05 -28.39 15.76 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.721 0.772 . . . . 0.0 111.359 -174.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.03 -34.96 40.27 Favored Glycine 0 N--CA 1.461 0.356 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.688 ' HB3' ' CG ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -67.35 -34.56 77.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.922 0.867 . . . . 0.0 111.005 174.879 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.66 -21.97 59.14 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.24 0.543 . . . . 0.0 111.456 177.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -30.99 60.24 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 121.436 -0.79 . . . . 0.0 110.171 172.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -73.94 -31.49 63.07 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 122.058 0.932 . . . . 0.0 110.423 172.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.72 -24.11 31.35 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.744 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.73 -43.06 8.57 Favored Glycine 0 N--CA 1.465 0.609 0 N-CA-C 109.184 -1.567 . . . . 0.0 109.184 174.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.833 HG11 ' CE2' ' A' ' 36' ' ' PHE . 2.8 t -52.37 -41.75 36.06 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-O 121.967 0.889 . . . . 0.0 110.575 172.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -70.06 -34.85 73.73 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.963 0.887 . . . . 0.0 111.058 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -53.9 -40.67 66.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.949 0.88 . . . . 0.0 110.96 175.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.615 HD21 ' N ' ' A' ' 29' ' ' LEU . 1.2 mt -75.57 -40.16 57.08 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.96 0.886 . . . . 0.0 111.051 178.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.8 -86.45 0.1 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.012 0.91 . . . . 0.0 110.992 -174.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t30 50.73 18.51 0.5 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.972 0.891 . . . . 0.0 111.84 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.92 -45.59 72.58 Favored Glycine 0 N--CA 1.462 0.378 0 O-C-N 120.935 -1.103 . . . . 0.0 110.991 -174.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.44 -35.45 1.43 Allowed Glycine 0 C--N 1.32 -0.344 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 178.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -102.57 -80.93 0.5 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.981 0.896 . . . . 0.0 111.01 -174.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -128.29 -70.82 0.15 Allowed Glycine 0 C--N 1.32 -0.319 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -176.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.833 ' CE2' HG11 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -151.96 -49.52 0.11 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.237 1.018 . . . . 0.0 110.906 -175.799 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.7 p90 . . . . . 1 C--O 1.38 7.961 0 CA-C-O 122.002 0.906 . . . . 0.0 111.025 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.633 ' HZ2' ' HB2' ' A' ' 1' ' ' LYS . 0.4 OUTLIER . . . . . 0 CA--C 1.511 -0.542 0 CA-C-O 122.1 0.952 . . . . 0.0 110.998 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -160.48 45.26 0.21 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.7 0.762 . . . . 0.0 110.989 179.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -63.93 -16.32 61.19 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -177.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.519 ' O ' ' HB3' ' A' ' 5' ' ' ASN . . . 34.01 40.63 0.16 Allowed Glycine 0 C--N 1.318 -0.46 0 C-N-CA 124.037 0.827 . . . . 0.0 114.481 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.519 ' HB3' ' O ' ' A' ' 4' ' ' GLY . 44.9 t30 71.77 -84.2 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 O-C-N 122.2 -0.588 . . . . 0.0 110.621 -174.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.31 -76.34 0.67 Allowed Glycine 0 N--CA 1.462 0.433 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 174.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 1.079 HG22 HG12 ' A' ' 16' ' ' VAL . 8.4 p -141.04 -60.59 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 122.357 1.075 . . . . 0.0 111.314 -174.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.548 ' CE1' ' CG2' ' A' ' 10' ' ' THR . 1.8 t60 137.9 77.11 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 127.924 2.489 . . . . 0.0 108.673 -171.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.451 ' HB2' ' HB3' ' A' ' 14' ' ' CYS . 16.3 t -59.13 95.02 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.996 0.903 . . . . 0.0 111.709 -173.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.548 ' CG2' ' CE1' ' A' ' 8' ' ' HIS . 1.4 t -173.55 29.73 0.01 OUTLIER 'General case' 0 C--O 1.242 0.68 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.553 174.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.577 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 10.4 ptmt -148.83 33.16 0.76 Allowed 'General case' 0 C--N 1.32 -0.714 0 O-C-N 121.292 -0.88 . . . . 0.0 111.821 -174.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.494 ' HB3' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER 89.29 -27.4 0.05 Allowed 'General case' 0 C--O 1.243 0.734 0 C-N-CA 124.097 0.959 . . . . 0.0 111.688 174.608 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -130.6 122.07 3.47 Favored Glycine 0 C--N 1.318 -0.433 0 O-C-N 121.26 -0.9 . . . . 0.0 110.899 174.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.683 ' O ' HG13 ' A' ' 7' ' ' VAL . 59.7 m -92.61 -56.97 2.82 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.823 1.297 . . . . 0.0 110.994 -177.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.29 56.21 3.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.949 1.357 . . . . 0.0 110.777 172.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 1.079 HG12 HG22 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -56.13 135.5 19.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 122.903 1.335 . . . . 0.0 112.623 -174.686 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.482 ' O ' HG21 ' A' ' 16' ' ' VAL . 3.0 t-20 -97.33 -148.07 0.32 Allowed 'General case' 0 C--O 1.244 0.814 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.705 172.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -141.13 -41.77 0.38 Allowed 'General case' 0 C--N 1.317 -0.808 0 O-C-N 121.503 -0.748 . . . . 0.0 111.069 174.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.57 -40.84 26.3 Favored Glycine 0 N--CA 1.462 0.413 0 CA-C-O 123.014 1.341 . . . . 0.0 109.963 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HG3' HD21 ' A' ' 17' ' ' ASN . 6.2 mm-40 -74.16 -24.25 59.37 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 122.063 -0.669 . . . . 0.0 111.401 174.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . . . -77.33 -25.26 50.96 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.49 -0.756 . . . . 0.0 111.339 176.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -78.11 -30.45 49.47 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.555 -0.715 . . . . 0.0 110.096 173.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.492 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 24.6 t -77.01 -27.67 54.72 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.865 0.84 . . . . 0.0 110.466 172.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.44 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . . . -84.07 -24.15 30.52 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.233 0.54 . . . . 0.0 111.74 174.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.33 -42.77 8.37 Favored Glycine 0 N--CA 1.466 0.639 0 N-CA-C 109.229 -1.549 . . . . 0.0 109.229 174.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.99 -40.08 52.29 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.466 0 CA-C-O 122.106 0.955 . . . . 0.0 110.582 172.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.492 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.1 OUTLIER -66.84 -42.24 86.09 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.986 0.898 . . . . 0.0 110.95 175.107 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -55.02 -35.58 64.57 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.992 0.901 . . . . 0.0 110.966 -176.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.522 HD22 ' N ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -84.72 -36.39 21.85 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.881 0.848 . . . . 0.0 111.077 176.766 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.79 -86.09 0.11 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.047 0.927 . . . . 0.0 111.022 -174.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 t30 51.74 17.47 0.61 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.78 0.8 . . . . 0.0 111.99 -174.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -130.19 -52.02 0.1 Allowed Glycine 0 N--CA 1.463 0.455 0 O-C-N 120.963 -1.085 . . . . 0.0 110.964 -174.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.23 -55.0 30.52 Favored Glycine 0 N--CA 1.461 0.318 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -176.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 62.63 30.56 16.97 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.683 0.754 . . . . 0.0 111.444 -176.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.04 90.12 0.07 OUTLIER Glycine 0 C--N 1.319 -0.39 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -86.38 -53.06 5.22 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.322 1.058 . . . . 0.0 110.915 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 1 C--O 1.38 7.931 0 CA-C-O 122.032 0.92 . . . . 0.0 110.995 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 CA--C 1.51 -0.56 0 CA-C-O 121.464 0.649 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.11 -3.95 78.35 Favored Glycine 0 N--CA 1.459 0.227 0 O-C-N 121.359 -0.838 . . . . 0.0 112.618 -172.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.004 HG22 HG12 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -43.53 -35.17 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 C-N-CA 124.143 0.977 . . . . 0.0 113.324 -174.388 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.9 t60 59.02 77.74 0.29 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.94 0.876 . . . . 0.0 110.731 -173.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.74 117.49 2.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.905 0.86 . . . . 0.0 110.914 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 77.2 p -100.64 39.46 1.37 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.936 0.874 . . . . 0.0 111.037 -175.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 12' ' ' SER . 2.2 ttmt 53.52 40.55 31.55 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.975 0.893 . . . . 0.0 111.02 176.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.47 ' HB3' ' O ' ' A' ' 11' ' ' LYS . 93.6 p 174.63 42.97 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.026 0.917 . . . . 0.0 111.082 -175.344 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.34 129.34 4.04 Favored Glycine 0 C--N 1.32 -0.347 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.651 ' O ' HG12 ' A' ' 16' ' ' VAL . 0.5 OUTLIER -93.0 -83.94 0.3 Allowed 'General case' 0 C--N 1.32 -0.697 0 O-C-N 122.028 -0.689 . . . . 0.0 111.194 177.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.728 ' HA ' HG21 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -33.97 -43.17 0.14 Allowed 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 124.635 1.174 . . . . 0.0 113.478 -173.357 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.004 HG12 HG22 ' A' ' 7' ' ' VAL . 5.9 p 47.76 70.41 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.379 0.609 . . . . 0.0 112.636 173.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.931 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 1.8 t30 -79.53 140.55 37.2 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.406 -0.809 . . . . 0.0 109.29 172.04 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -80.94 -35.65 31.99 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.648 0.737 . . . . 0.0 111.361 -173.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.04 -38.86 39.25 Favored Glycine 0 N--CA 1.462 0.394 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 174.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.931 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -74.11 -13.32 60.81 Favored 'General case' 0 C--O 1.243 0.744 0 O-C-N 122.115 -0.638 . . . . 0.0 112.166 174.618 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.458 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . . . -82.76 -22.29 34.39 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.287 -0.883 . . . . 0.0 111.084 174.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -82.57 -28.81 30.69 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.526 -0.734 . . . . 0.0 109.993 171.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -79.05 -27.54 43.12 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.846 0.831 . . . . 0.0 110.236 171.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -84.95 -26.34 27.26 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.619 0.723 . . . . 0.0 110.958 173.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.33 -41.49 30.69 Favored Glycine 0 N--CA 1.467 0.704 0 N-CA-C 108.405 -1.878 . . . . 0.0 108.405 173.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.557 HG12 ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -48.51 -64.12 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 CA-C-O 123.331 1.539 . . . . 0.0 110.654 171.927 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.557 ' N ' HG12 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -67.87 -26.82 66.21 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.042 -174.606 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -42.23 75.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.109 0.957 . . . . 0.0 110.846 174.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.696 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.321 -0.66 0 CA-C-O 122.006 0.908 . . . . 0.0 110.934 174.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 t30 . . . . . 0 CA--C 1.51 -0.57 0 CA-C-O 121.997 0.903 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.16 -25.19 73.47 Favored Glycine 0 C--O 1.241 0.56 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.607 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.523 ' HA ' HG21 ' A' ' 16' ' ' VAL . 38.2 t -52.75 -43.62 45.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 121.53 -0.983 . . . . 0.0 111.391 -175.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 60.36 65.24 1.09 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.986 0.898 . . . . 0.0 110.983 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.6 t -101.71 89.41 3.68 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.794 0.807 . . . . 0.0 110.949 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.7 p -145.1 44.11 1.33 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.681 0.753 . . . . 0.0 111.49 -174.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.716 ' O ' ' HB3' ' A' ' 12' ' ' SER . 0.0 OUTLIER -143.36 29.06 1.45 Allowed 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.603 -0.685 . . . . 0.0 111.778 174.558 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.716 ' HB3' ' O ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER 88.11 -38.86 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 124.62 1.168 . . . . 0.0 110.946 -174.522 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.84 160.54 24.9 Favored Glycine 0 N--CA 1.464 0.514 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 174.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 15' ' ' SER . 4.0 m -82.47 -135.72 0.04 OUTLIER 'General case' 0 C--O 1.246 0.883 0 O-C-N 121.73 -0.865 . . . . 0.0 110.093 -174.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.473 ' HB2' ' O ' ' A' ' 14' ' ' CYS . 7.6 t 177.49 -36.67 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.786 0 O-C-N 121.1 -1.0 . . . . 0.0 111.342 -174.586 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.523 HG21 ' HA ' ' A' ' 7' ' ' VAL . 67.5 t -58.06 98.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.854 0.835 . . . . 0.0 111.18 -174.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.882 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 8.1 t-20 -74.36 146.2 43.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.65 0.738 . . . . 0.0 110.61 174.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.7 m95 -98.28 -28.89 13.48 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.716 0.769 . . . . 0.0 111.341 -174.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.68 -43.23 12.15 Favored Glycine 0 N--CA 1.462 0.382 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 174.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.882 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 2.3 mm-40 -67.98 -21.86 65.04 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 122.125 -0.632 . . . . 0.0 111.573 174.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . -78.25 -22.46 48.34 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.453 -0.779 . . . . 0.0 111.764 176.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -79.73 -31.13 41.09 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.412 -0.805 . . . . 0.0 110.063 173.04 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.594 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 1.5 t -78.16 -27.05 48.01 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.702 0.763 . . . . 0.0 110.403 172.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -85.55 -23.07 27.82 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.312 0.577 . . . . 0.0 111.626 174.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.5 -45.17 7.5 Favored Glycine 0 N--CA 1.466 0.689 0 N-CA-C 109.049 -1.62 . . . . 0.0 109.049 174.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 t -54.89 -40.18 51.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 122.906 1.336 . . . . 0.0 110.176 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.594 ' HB2' ' O ' ' A' ' 23' ' ' SER . 6.5 t-80 -61.49 -40.6 95.16 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.99 174.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.12 -51.26 66.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.07 0.938 . . . . 0.0 110.945 177.402 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.438 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.61 0 CA-C-O 121.56 0.695 . . . . 0.0 110.997 174.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.511 -0.53 0 CA-C-O 121.729 0.776 . . . . 0.0 111.444 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.53 -13.49 58.65 Favored Glycine 0 C--O 1.242 0.62 0 O-C-N 121.752 -0.592 . . . . 0.0 113.931 -175.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 7' ' ' VAL . 48.7 t -98.36 52.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 O-C-N 121.21 -1.17 . . . . 0.0 110.957 -174.187 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -94.38 54.52 1.85 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.682 1.23 . . . . 0.0 110.67 174.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 64.2 m -44.65 103.6 0.04 OUTLIER 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.734 174.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 p -73.87 -96.75 0.01 OUTLIER 'General case' 0 C--O 1.242 0.705 0 O-C-N 121.684 -0.635 . . . . 0.0 111.509 -173.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.54 25.16 1.86 Allowed 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.275 -0.89 . . . . 0.0 111.679 -174.023 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.4 t -157.74 32.37 0.26 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.176 0.989 . . . . 0.0 110.66 -174.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.71 -148.74 18.93 Favored Glycine 0 C--N 1.321 -0.293 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -174.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.9 m -129.17 -71.55 0.62 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.008 0.909 . . . . 0.0 110.984 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.51 43.56 30.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.048 0.928 . . . . 0.0 110.996 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.75 115.56 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 122.037 0.922 . . . . 0.0 110.964 -174.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.768 ' HB3' ' HB3' ' A' ' 20' ' ' GLU . 57.1 t-20 -96.29 139.14 32.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.958 0.885 . . . . 0.0 110.974 176.085 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 40.9 m95 -87.99 -41.09 13.37 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.84 0.828 . . . . 0.0 111.178 -174.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.44 -41.87 83.65 Favored Glycine 0 C--N 1.32 -0.359 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 174.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.768 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . 2.0 tp10 -64.27 -31.73 73.04 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.968 0.89 . . . . 0.0 111.004 174.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . -73.34 -21.46 60.54 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.225 0.536 . . . . 0.0 111.625 178.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.432 ' O ' HG23 ' A' ' 26' ' ' VAL . 48.3 t80 -79.15 -30.48 43.62 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 121.451 -0.781 . . . . 0.0 110.107 173.145 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.816 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 4.2 t -77.34 -27.17 52.64 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.649 0.738 . . . . 0.0 110.349 172.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.433 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -84.88 -24.19 28.61 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.329 0.585 . . . . 0.0 111.471 174.136 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.411 ' HA2' ' HB2' ' A' ' 28' ' ' ARG . . . -82.31 -42.02 8.88 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 176.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 22' ' ' PHE . 8.2 t -60.06 -38.09 75.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 122.988 1.375 . . . . 0.0 110.352 171.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.816 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.6 OUTLIER -77.13 -17.03 58.93 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.891 174.846 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.411 ' HB2' ' HA2' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -77.8 -45.61 23.99 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.199 -0.938 . . . . 0.0 110.98 173.357 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.56 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.32 -0.688 0 CA-C-O 121.927 0.87 . . . . 0.0 110.997 177.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m120 . . . . . 0 CA--C 1.51 -0.589 0 CA-C-O 121.433 0.635 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.75 34.91 0.3 Allowed Glycine 0 N--CA 1.461 0.365 0 O-C-N 121.429 -0.794 . . . . 0.0 111.311 -174.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.45 HG12 ' HB3' ' A' ' 14' ' ' CYS . 2.6 t -57.96 -22.2 18.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 O-C-N 121.881 -0.776 . . . . 0.0 111.465 174.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.3 t60 68.75 65.26 0.31 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.095 0.95 . . . . 0.0 110.783 174.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.2 m -90.35 -177.87 5.21 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.073 0.94 . . . . 0.0 110.988 174.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -161.08 -56.87 0.05 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.965 0.888 . . . . 0.0 111.003 174.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -117.34 -103.84 0.41 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.712 0.768 . . . . 0.0 109.99 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 p -91.03 -38.42 12.82 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.853 0.835 . . . . 0.0 111.193 -174.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.66 177.04 20.41 Favored Glycine 0 C--N 1.32 -0.326 0 CA-C-O 122.074 0.819 . . . . 0.0 111.283 -174.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.45 ' HB3' HG12 ' A' ' 7' ' ' VAL . 95.3 m -129.01 -68.73 0.73 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.116 0.96 . . . . 0.0 110.996 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m 63.94 85.38 0.14 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.002 0.906 . . . . 0.0 110.978 175.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.7 p -107.19 65.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.99 0.9 . . . . 0.0 111.048 -175.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.894 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 43.7 t-20 -55.03 119.41 5.41 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.893 0.854 . . . . 0.0 110.853 174.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -69.59 -35.7 75.55 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.909 0.861 . . . . 0.0 111.151 -174.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.33 -37.12 92.55 Favored Glycine 0 C--N 1.32 -0.314 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 175.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.894 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -66.24 -24.92 66.68 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 122.021 -0.694 . . . . 0.0 111.609 176.306 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.63 -29.03 59.03 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.465 -0.772 . . . . 0.0 111.168 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.453 ' O ' HG23 ' A' ' 26' ' ' VAL . 16.0 t80 -75.83 -27.41 57.86 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.62 -0.675 . . . . 0.0 110.3 173.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.527 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -78.23 -27.8 47.77 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.923 0.868 . . . . 0.0 110.355 172.248 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.52 -23.37 34.63 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.667 174.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.5 ' O ' ' HB3' ' A' ' 28' ' ' ARG . . . -83.76 -44.04 6.99 Favored Glycine 0 N--CA 1.466 0.673 0 N-CA-C 109.169 -1.573 . . . . 0.0 109.169 174.202 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 22' ' ' PHE . 4.2 t -55.66 -36.81 43.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 122.033 0.921 . . . . 0.0 110.487 172.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.527 ' HB2' ' O ' ' A' ' 23' ' ' SER . 41.0 t-80 -75.45 -31.89 60.45 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.988 0.899 . . . . 0.0 110.928 177.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.5 ' HB3' ' O ' ' A' ' 25' ' ' GLY . 2.5 ttm180 -54.44 -44.35 72.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.021 0.915 . . . . 0.0 110.967 174.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.461 ' N ' HD23 ' A' ' 29' ' ' LEU . 2.5 mt . . . . . 0 C--N 1.32 -0.677 0 CA-C-O 121.811 0.815 . . . . 0.0 111.28 174.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 . . . . . 0 CA--C 1.511 -0.55 0 CA-C-O 122.058 0.932 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.61 72.42 0.27 Allowed Glycine 0 C--N 1.32 -0.306 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.626 HG22 HG12 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -102.77 -35.52 3.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 122.039 0.923 . . . . 0.0 110.996 178.812 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.4 t60 57.56 60.67 2.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.101 0.953 . . . . 0.0 110.947 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -58.38 116.64 3.75 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.235 1.017 . . . . 0.0 110.711 -179.382 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.47 -162.83 0.94 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.046 0.927 . . . . 0.0 111.043 176.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -103.81 38.15 1.89 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.039 0.923 . . . . 0.0 110.93 175.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.72 44.71 0.06 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.105 0.955 . . . . 0.0 110.854 174.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.65 134.94 4.1 Favored Glycine 0 N--CA 1.462 0.386 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 -174.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.442 ' O ' HG22 ' A' ' 7' ' ' VAL . 93.3 m -133.55 -58.35 0.88 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.049 0.928 . . . . 0.0 111.562 -174.227 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.7 m -85.81 85.97 7.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.236 1.017 . . . . 0.0 111.048 -175.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.626 HG12 HG22 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -79.45 148.96 5.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 122.015 0.912 . . . . 0.0 111.048 177.138 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -94.43 102.17 14.12 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.954 0.883 . . . . 0.0 110.974 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -80.72 -31.92 35.94 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.89 0.852 . . . . 0.0 111.126 -174.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.93 -41.89 95.14 Favored Glycine 0 N--CA 1.461 0.318 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 175.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.65 -33.28 73.68 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.97 0.89 . . . . 0.0 111.009 177.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.59 -25.75 63.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.452 0.644 . . . . 0.0 111.167 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.478 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -75.39 -27.52 59.11 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.55 -0.719 . . . . 0.0 110.322 173.214 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 t -77.71 -28.32 50.9 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.914 0.864 . . . . 0.0 110.39 172.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.64 -25.17 33.37 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.337 0.589 . . . . 0.0 111.625 174.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.82 -41.92 9.33 Favored Glycine 0 N--CA 1.466 0.641 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 174.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 22' ' ' PHE . 2.6 t -54.02 -41.22 49.05 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.496 0 CA-C-O 122.038 0.923 . . . . 0.0 110.612 172.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -34.6 72.72 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.015 0.912 . . . . 0.0 110.988 177.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.482 ' HB3' HD23 ' A' ' 29' ' ' LEU . 21.4 ttp85 -51.57 -45.2 62.99 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.008 0.908 . . . . 0.0 110.987 175.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.498 ' N ' HD23 ' A' ' 29' ' ' LEU . 1.6 mt . . . . . 0 C--N 1.32 -0.707 0 CA-C-O 121.926 0.87 . . . . 0.0 111.181 -176.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.558 0 CA-C-O 121.732 0.777 . . . . 0.0 111.669 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.59 77.26 0.02 OUTLIER Glycine 0 C--N 1.32 -0.31 0 CA-C-O 122.018 0.788 . . . . 0.0 111.617 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.627 HG11 ' HB3' ' A' ' 14' ' ' CYS . 2.4 t -89.15 -25.24 5.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 O-C-N 122.027 -0.69 . . . . 0.0 111.185 174.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.7 t60 60.78 59.95 2.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.906 0.86 . . . . 0.0 110.695 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.0 m -47.29 147.75 1.48 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.865 0.84 . . . . 0.0 111.017 174.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.7 p -145.3 -159.65 1.03 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.695 0.759 . . . . 0.0 110.888 178.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.484 ' H ' ' HG3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -99.37 36.76 1.68 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.026 0.917 . . . . 0.0 110.888 174.638 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -136.28 -43.4 0.63 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.073 0.94 . . . . 0.0 110.84 174.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 165.62 159.24 11.46 Favored Glycine 0 C--N 1.32 -0.326 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 174.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.627 ' HB3' HG11 ' A' ' 7' ' ' VAL . 57.7 m -90.8 -140.37 0.16 Allowed 'General case' 0 C--O 1.246 0.911 0 O-C-N 121.961 -0.729 . . . . 0.0 109.816 174.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.75 81.62 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.797 0 O-C-N 121.498 -0.751 . . . . 0.0 111.847 -177.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.542 ' CG1' ' CE2' ' A' ' 18' ' ' TRP . 99.6 t -137.15 91.78 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.687 0.755 . . . . 0.0 112.511 -174.286 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.42 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 60.9 t30 -83.51 -9.93 58.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.487 0.661 . . . . 0.0 111.96 171.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.542 ' CE2' ' CG1' ' A' ' 16' ' ' VAL . 72.7 m95 58.74 -7.96 0.04 OUTLIER 'General case' 0 C--O 1.249 1.067 0 N-CA-C 117.476 2.399 . . . . 0.0 117.476 -172.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.85 -37.63 2.52 Favored Glycine 0 C--N 1.315 -0.633 0 CA-C-O 123.799 1.777 . . . . 0.0 108.85 171.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 3.3 mt-10 -79.21 -13.54 59.63 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-N 114.141 -1.029 . . . . 0.0 111.397 172.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.55 -31.08 47.25 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.026 0.917 . . . . 0.0 110.572 173.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.451 ' O ' HG23 ' A' ' 26' ' ' VAL . 79.8 t80 -77.02 -29.09 55.2 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.53 0.681 . . . . 0.0 110.217 173.082 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.817 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -77.9 -27.19 49.5 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.019 0.914 . . . . 0.0 110.336 171.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.75 -23.62 33.9 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.26 0.552 . . . . 0.0 111.679 174.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.424 ' O ' ' HB3' ' A' ' 28' ' ' ARG . . . -83.74 -44.6 6.74 Favored Glycine 0 N--CA 1.466 0.646 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 174.144 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 22' ' ' PHE . 5.4 t -55.69 -37.19 45.52 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 CA-C-O 122.086 0.946 . . . . 0.0 110.553 172.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.817 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -78.46 -30.34 47.38 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.952 0.882 . . . . 0.0 111.016 179.435 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.437 ' HG3' HD23 ' A' ' 29' ' ' LEU . 11.3 tpt180 -56.4 -39.95 73.85 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.996 0.903 . . . . 0.0 110.923 174.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.626 ' N ' HD23 ' A' ' 29' ' ' LEU . 1.3 mt . . . . . 0 C--N 1.32 -0.689 0 CA-C-O 121.712 0.768 . . . . 0.0 111.196 175.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.512 -0.515 0 CA-C-O 122.287 1.041 . . . . 0.0 111.487 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.427 ' O ' HG23 ' A' ' 7' ' ' VAL . . . 143.16 -16.69 2.33 Favored Glycine 0 C--N 1.32 -0.318 0 CA-C-N 115.694 -0.685 . . . . 0.0 114.673 173.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 6' ' ' GLY . 78.8 t -166.37 -61.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 122.462 1.125 . . . . 0.0 110.64 -174.382 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.8 t60 62.84 85.36 0.13 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 122.059 0.933 . . . . 0.0 111.065 -174.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.9 m -118.15 90.55 3.36 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.959 0.885 . . . . 0.0 110.839 174.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.2 m -55.69 -78.2 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.883 0.849 . . . . 0.0 111.262 -174.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.7 -36.85 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.852 1.31 . . . . 0.0 112.914 -174.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.3 t -75.96 -31.99 59.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.596 -1.183 . . . . 0.0 110.941 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 165.18 143.51 3.75 Favored Glycine 0 C--N 1.32 -0.324 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 174.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 95.5 m -65.99 -83.69 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.894 -0.769 . . . . 0.0 110.906 -176.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.7 m 52.91 32.83 13.23 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.887 0.851 . . . . 0.0 111.23 175.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -54.86 124.96 8.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.98 0.895 . . . . 0.0 110.951 -176.078 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.789 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 13.7 t-20 -81.69 136.66 35.48 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.001 0.905 . . . . 0.0 111.013 177.025 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -90.13 -28.26 19.07 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.781 0.8 . . . . 0.0 111.325 -174.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.39 -33.62 34.73 Favored Glycine 0 N--CA 1.462 0.37 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 174.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.789 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -74.48 -27.22 60.48 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 122.058 -0.672 . . . . 0.0 111.31 175.364 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . . . -78.02 -28.42 49.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.566 0.698 . . . . 0.0 111.314 176.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.449 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.4 t80 -76.83 -28.55 55.55 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.622 0.725 . . . . 0.0 110.208 173.342 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.687 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -78.64 -27.7 45.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.784 0.802 . . . . 0.0 110.332 172.442 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -82.33 -23.81 34.92 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.339 0.59 . . . . 0.0 111.533 174.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.97 -45.08 6.82 Favored Glycine 0 N--CA 1.467 0.719 0 N-CA-C 109.081 -1.607 . . . . 0.0 109.081 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 22' ' ' PHE . 6.6 t -56.07 -33.27 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 122.515 1.15 . . . . 0.0 110.452 172.242 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.687 ' HB2' ' O ' ' A' ' 23' ' ' SER . 1.2 t-80 -72.01 -36.71 69.8 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.966 0.889 . . . . 0.0 111.019 174.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.09 -57.62 10.4 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.121 0.962 . . . . 0.0 110.727 176.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.662 0 CA-C-O 122.098 0.952 . . . . 0.0 110.942 174.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 . . . . . 0 CA--C 1.511 -0.538 0 CA-C-O 122.27 1.033 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -148.39 31.54 1.27 Allowed Glycine 0 C--N 1.32 -0.323 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 174.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.645 HG13 ' HB ' ' A' ' 16' ' ' VAL . 48.8 t -99.01 -67.8 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 122.079 0.942 . . . . 0.0 110.884 -174.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 60.01 80.04 0.22 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.032 0.92 . . . . 0.0 111.336 174.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.46 117.62 6.42 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.457 0.646 . . . . 0.0 110.605 174.259 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.83 -85.07 0.57 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.754 0.787 . . . . 0.0 111.945 -173.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.528 ' HG2' ' H ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -96.46 -101.41 0.18 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.826 0.822 . . . . 0.0 110.447 -173.563 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.9 m -47.57 -26.13 1.36 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.931 -174.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.16 -141.48 8.54 Favored Glycine 0 N--CA 1.462 0.373 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 174.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.4 m -94.41 -88.35 0.24 Allowed 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.864 -0.786 . . . . 0.0 110.652 174.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m 48.64 55.98 8.27 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.854 0.835 . . . . 0.0 111.217 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.645 ' HB ' HG13 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -52.93 106.57 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 122.015 0.912 . . . . 0.0 111.174 -174.624 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -51.53 101.44 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.982 0.896 . . . . 0.0 111.005 174.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -64.6 -25.54 68.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.491 0.662 . . . . 0.0 111.416 -174.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.86 -48.74 81.88 Favored Glycine 0 N--CA 1.461 0.321 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 174.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -62.94 -34.31 77.2 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.837 0.827 . . . . 0.0 111.065 -177.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.79 -24.15 61.69 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.444 0.64 . . . . 0.0 111.304 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.7 t80 -76.13 -28.33 57.39 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.521 -0.737 . . . . 0.0 110.282 173.329 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.605 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 1.2 t -77.81 -28.43 50.32 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.908 0.861 . . . . 0.0 110.375 172.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.3 -22.49 32.94 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.185 0.517 . . . . 0.0 111.783 174.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' A' ' 28' ' ' ARG . . . -83.84 -43.77 7.07 Favored Glycine 0 N--CA 1.466 0.66 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 174.387 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 22' ' ' PHE . 4.8 t -56.01 -36.44 44.65 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 CA-C-O 122.236 1.017 . . . . 0.0 110.531 172.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.605 ' HB2' ' O ' ' A' ' 23' ' ' SER . 1.2 t-80 -69.34 -38.42 78.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.012 0.911 . . . . 0.0 110.904 174.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.526 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 12.1 mtp180 -52.48 -52.49 54.12 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.995 0.902 . . . . 0.0 111.002 175.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.586 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.32 -0.706 0 CA-C-O 121.793 0.806 . . . . 0.0 111.259 178.085 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.511 -0.544 0 CA-C-O 122.094 0.95 . . . . 0.0 111.309 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 97.01 26.95 9.81 Favored Glycine 0 C--O 1.242 0.606 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.643 174.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -85.26 -34.54 8.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 O-C-N 121.361 -1.082 . . . . 0.0 110.839 174.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.6 t60 62.52 88.05 0.1 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.054 0.93 . . . . 0.0 111.367 174.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 m -118.48 91.59 3.6 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.534 0.683 . . . . 0.0 110.632 174.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.94 -91.6 0.5 Allowed 'General case' 0 C--N 1.32 -0.684 0 O-C-N 121.649 -0.657 . . . . 0.0 112.148 -173.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.41 ' H ' ' HG3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -107.14 34.91 3.24 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.393 -0.817 . . . . 0.0 112.072 -173.181 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.92 60.56 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.009 0.909 . . . . 0.0 110.983 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.18 -168.6 0.7 Allowed Glycine 0 N--CA 1.464 0.501 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -174.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.0 m -68.35 -75.94 0.1 Allowed 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.664 -0.903 . . . . 0.0 110.846 174.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.98 71.33 0.5 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.012 0.91 . . . . 0.0 110.958 178.025 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 t -81.72 107.41 13.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.959 0.885 . . . . 0.0 111.24 -174.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.624 ' OD1' ' HG3' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -53.12 112.05 0.79 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.874 0.845 . . . . 0.0 110.786 174.446 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -79.48 -27.61 41.52 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.68 0.753 . . . . 0.0 111.444 -174.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.93 -49.51 53.87 Favored Glycine 0 N--CA 1.461 0.337 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 174.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.624 ' HG3' ' OD1' ' A' ' 17' ' ' ASN . 2.6 mm-40 -62.08 -27.89 69.23 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.947 -0.737 . . . . 0.0 111.471 176.38 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.06 -27.28 61.65 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.612 0.72 . . . . 0.0 111.17 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.461 ' O ' HG23 ' A' ' 26' ' ' VAL . 5.0 t80 -75.83 -27.3 57.83 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.574 0.702 . . . . 0.0 110.332 173.258 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.4 m -78.47 -28.14 46.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.88 0.848 . . . . 0.0 110.359 172.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.01 -25.02 35.07 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.302 0.573 . . . . 0.0 111.454 174.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.485 ' HA2' ' HB2' ' A' ' 28' ' ' ARG . . . -82.14 -42.86 8.44 Favored Glycine 0 N--CA 1.465 0.632 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 174.077 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 22' ' ' PHE . 2.6 t -53.35 -38.23 31.44 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.461 0 CA-C-O 122.154 0.978 . . . . 0.0 110.467 172.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -40.12 72.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 122.024 0.916 . . . . 0.0 110.886 174.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.522 ' HB3' HD23 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -50.47 -49.26 55.69 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.961 0.886 . . . . 0.0 111.053 176.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.651 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.319 -0.74 0 CA-C-O 121.846 0.831 . . . . 0.0 111.173 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 58.2 t30 . . . . . 0 CA--C 1.51 -0.575 0 CA-C-O 121.566 0.698 . . . . 0.0 111.671 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.535 ' O ' HG23 ' A' ' 7' ' ' VAL . . . -136.6 62.96 0.59 Allowed Glycine 0 C--N 1.32 -0.325 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 178.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 6' ' ' GLY . 3.3 t -162.16 -62.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 122.004 0.906 . . . . 0.0 111.067 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.841 ' O ' HG22 ' A' ' 10' ' ' THR . 0.2 OUTLIER 24.44 57.41 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 126.278 1.831 . . . . 0.0 113.66 179.651 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 75.7 m -46.57 98.54 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.707 173.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.841 HG22 ' O ' ' A' ' 8' ' ' HIS . 11.2 t -172.67 28.68 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.848 0.832 . . . . 0.0 111.308 -173.235 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -148.18 48.92 1.05 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.019 0.914 . . . . 0.0 111.03 -174.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t 63.04 39.74 9.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.977 0.894 . . . . 0.0 110.924 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.04 159.03 9.91 Favored Glycine 0 C--N 1.32 -0.351 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -174.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 77.3 m -86.63 -107.11 0.06 Allowed 'General case' 0 C--O 1.245 0.836 0 O-C-N 121.79 -0.83 . . . . 0.0 110.594 -175.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.12 -45.81 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 122.029 0.919 . . . . 0.0 111.054 -174.163 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 16' ' ' VAL . 1.2 t -80.1 108.9 14.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 122.108 0.956 . . . . 0.0 111.458 -174.223 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.966 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -66.41 129.64 40.51 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.922 0.868 . . . . 0.0 111.118 174.515 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -94.76 -39.15 10.43 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.792 0.806 . . . . 0.0 111.203 -175.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.19 -42.14 94.47 Favored Glycine 0 N--CA 1.462 0.383 0 CA-C-O 122.392 0.995 . . . . 0.0 110.696 174.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.966 ' HB2' ' HB2' ' A' ' 17' ' ' ASN . 1.6 mp0 -65.67 -26.87 67.98 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.665 0.745 . . . . 0.0 111.025 174.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.5 -25.52 63.18 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 121.589 -0.694 . . . . 0.0 111.286 174.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.463 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.4 t80 -76.06 -29.63 58.09 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.506 -0.746 . . . . 0.0 110.251 173.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.606 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 2.6 t -76.88 -28.18 55.28 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.814 0.816 . . . . 0.0 110.491 172.591 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.35 -23.97 32.26 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.263 0.554 . . . . 0.0 111.743 174.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.46 -44.48 7.38 Favored Glycine 0 N--CA 1.466 0.641 0 N-CA-C 109.148 -1.581 . . . . 0.0 109.148 174.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 22' ' ' PHE . 5.6 t -55.45 -35.39 37.38 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 CA-C-O 122.453 1.121 . . . . 0.0 110.392 172.341 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.606 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -69.47 -36.98 77.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.013 0.911 . . . . 0.0 110.896 174.627 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.4 -58.32 7.54 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.122 0.963 . . . . 0.0 110.86 174.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--N 1.321 -0.653 0 CA-C-O 121.684 0.754 . . . . 0.0 111.302 175.211 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.512 -0.515 0 CA-C-O 121.689 0.756 . . . . 0.0 112.061 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.06 -12.51 79.28 Favored Glycine 0 C--O 1.243 0.668 0 N-CA-C 114.444 0.537 . . . . 0.0 114.444 -173.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.446 HG12 ' SG ' ' A' ' 9' ' ' CYS . 50.1 t -50.64 -37.2 15.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 O-C-N 121.294 -1.121 . . . . 0.0 111.961 -174.365 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 48.93 73.81 0.21 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.132 0.968 . . . . 0.0 111.819 175.261 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.572 ' HB3' ' O ' ' A' ' 13' ' ' GLY . 56.3 m -84.81 93.61 8.52 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.66 174.343 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.0 p -119.31 103.26 9.33 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.213 1.006 . . . . 0.0 112.131 -173.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.583 ' O ' ' HB2' ' A' ' 12' ' ' SER . 0.0 OUTLIER 45.7 54.6 7.58 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.045 0.926 . . . . 0.0 112.37 173.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.583 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 1.4 t 168.3 42.61 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.854 0.835 . . . . 0.0 110.699 -175.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.572 ' O ' ' HB3' ' A' ' 9' ' ' CYS . . . 54.55 -119.57 12.92 Favored Glycine 0 N--CA 1.465 0.612 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 -173.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.1 m -134.06 -74.69 0.48 Allowed 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.089 -0.653 . . . . 0.0 110.537 173.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m 47.41 26.71 0.8 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.682 0.753 . . . . 0.0 111.857 174.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.685 HG13 ' CZ2' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -69.81 138.17 22.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 122.071 0.939 . . . . 0.0 111.132 -174.449 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.96 129.37 37.53 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.959 0.885 . . . . 0.0 111.054 175.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.685 ' CZ2' HG13 ' A' ' 16' ' ' VAL . 33.3 m95 -101.21 -22.74 14.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.326 0.584 . . . . 0.0 111.71 -175.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.2 -50.78 15.67 Favored Glycine 0 N--CA 1.462 0.371 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 174.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -29.87 69.67 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.572 0.701 . . . . 0.0 111.229 177.629 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.3 -21.56 56.08 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.649 -0.657 . . . . 0.0 111.642 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -77.5 -29.79 52.67 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.419 -0.801 . . . . 0.0 110.209 173.362 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.551 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 3.6 m -77.45 -28.23 52.36 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.881 0.848 . . . . 0.0 110.397 172.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.22 -22.82 30.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.239 0.543 . . . . 0.0 111.803 174.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.491 ' O ' ' HB3' ' A' ' 28' ' ' ARG . . . -83.1 -42.9 7.81 Favored Glycine 0 N--CA 1.467 0.712 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 174.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 22' ' ' PHE . 3.5 t -55.33 -40.32 56.45 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.481 0 CA-C-O 122.174 0.987 . . . . 0.0 110.567 172.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.551 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.1 OUTLIER -68.34 -37.35 80.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.048 0.928 . . . . 0.0 110.941 176.091 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.491 ' HB3' ' O ' ' A' ' 25' ' ' GLY . 7.2 tpp85 -54.74 -41.89 70.93 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.96 0.886 . . . . 0.0 110.977 176.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.698 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.32 -0.691 0 CA-C-O 121.615 0.721 . . . . 0.0 111.377 175.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.487 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.987 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.574 ' O ' HG22 ' A' ' 16' ' ' VAL . . . 67.2 2.84 21.15 Favored Glycine 0 N--CA 1.462 0.391 0 O-C-N 121.132 -0.98 . . . . 0.0 114.639 177.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 5' ' ' ASN . 97.0 t -108.2 59.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 122.468 1.127 . . . . 0.0 111.42 -173.097 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -95.58 49.43 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 122.968 1.366 . . . . 0.0 110.404 173.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 65.3 m -52.59 147.67 8.15 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.3 p -116.15 -155.84 0.59 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.368 0.604 . . . . 0.0 110.77 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HG2' ' H ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -95.41 39.19 1.13 Allowed 'General case' 0 C--N 1.32 -0.705 0 O-C-N 121.485 -0.76 . . . . 0.0 111.458 177.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.85 -43.24 0.43 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.1 0.952 . . . . 0.0 110.914 174.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.45 -125.53 0.85 Allowed Glycine 0 N--CA 1.46 0.245 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 174.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.4 m -137.2 -70.78 0.45 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.877 0.846 . . . . 0.0 110.916 174.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.59 83.22 0.06 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.996 0.903 . . . . 0.0 111.057 175.367 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.722 HG11 ' CH2' ' A' ' 18' ' ' TRP . 15.2 t -80.77 136.51 23.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.983 0.897 . . . . 0.0 111.01 177.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.7 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 2.0 t-20 -96.53 114.09 25.72 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.908 0.861 . . . . 0.0 110.963 174.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.722 ' CH2' HG11 ' A' ' 16' ' ' VAL . 22.9 m95 -89.91 -32.2 16.95 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.896 0.855 . . . . 0.0 111.118 -175.128 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.47 -37.48 35.65 Favored Glycine 0 C--N 1.32 -0.313 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 174.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.7 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 3.3 mm-40 -72.25 -27.62 62.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.554 0.692 . . . . 0.0 111.296 174.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . -76.72 -26.04 54.21 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 121.575 -0.703 . . . . 0.0 111.265 177.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.442 ' O ' HG23 ' A' ' 26' ' ' VAL . 29.0 t80 -76.92 -30.11 55.98 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.541 -0.725 . . . . 0.0 110.247 173.375 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.586 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 1.5 t -77.99 -27.22 48.99 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.763 0.792 . . . . 0.0 110.464 172.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -83.06 -24.93 32.53 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.307 0.575 . . . . 0.0 111.485 174.314 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.49 -46.02 7.09 Favored Glycine 0 N--CA 1.467 0.738 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 175.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 22' ' ' PHE . 6.6 t -54.97 -36.67 39.17 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 CA-C-O 122.581 1.182 . . . . 0.0 110.456 172.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.586 ' HB2' ' O ' ' A' ' 23' ' ' SER . 47.9 t-80 -69.51 -35.1 75.2 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.09 176.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -49.21 74.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.258 1.028 . . . . 0.0 110.857 175.224 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.57 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.383 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.51 -0.577 0 CA-C-O 121.898 0.856 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -111.3 -61.34 0.47 Allowed Glycine 0 C--N 1.319 -0.379 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -174.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.762 HG13 ' SG ' ' A' ' 9' ' ' CYS . 0.9 OUTLIER -55.72 -68.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 122.111 0.958 . . . . 0.0 110.969 -175.172 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.597 ' N ' HG12 ' A' ' 7' ' ' VAL . 0.5 OUTLIER 59.54 60.03 2.4 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.051 0.929 . . . . 0.0 110.973 174.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.762 ' SG ' HG13 ' A' ' 7' ' ' VAL . 48.0 m -102.03 127.56 48.85 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.829 0.823 . . . . 0.0 110.889 174.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.726 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 2.4 m -111.72 64.31 0.62 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.718 0.77 . . . . 0.0 111.188 -174.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.726 ' HG2' ' O ' ' A' ' 10' ' ' THR . 0.0 OUTLIER 44.28 55.5 5.51 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.966 0.889 . . . . 0.0 112.047 174.73 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.531 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 8.4 t 177.59 -56.35 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.037 0.922 . . . . 0.0 111.112 178.252 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.69 -156.81 7.06 Favored Glycine 0 C--N 1.321 -0.303 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 174.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.538 ' HB3' HG12 ' A' ' 16' ' ' VAL . 61.9 m -142.12 -52.01 0.41 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.155 0.979 . . . . 0.0 110.96 -175.423 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 73.61 14.52 4.24 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.453 175.424 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.538 HG12 ' HB3' ' A' ' 14' ' ' CYS . 0.2 OUTLIER -85.56 93.18 3.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 O-C-N 121.182 -0.949 . . . . 0.0 110.829 174.538 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.986 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 1.5 t-20 -78.19 143.88 36.8 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.884 0.85 . . . . 0.0 110.832 175.133 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 26.8 m95 -83.06 -36.97 24.49 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.926 0.869 . . . . 0.0 110.849 -178.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.69 -45.66 57.69 Favored Glycine 0 N--CA 1.462 0.401 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 174.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.986 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 1.5 mp0 -68.18 -16.56 64.04 Favored 'General case' 0 C--O 1.242 0.665 0 O-C-N 122.256 -0.555 . . . . 0.0 111.74 174.232 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . -74.74 -27.71 60.47 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.297 -0.877 . . . . 0.0 111.018 174.448 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.459 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.0 t80 -79.08 -27.63 43.02 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.571 0.701 . . . . 0.0 110.107 172.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.788 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -76.48 -26.55 55.45 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.621 0.724 . . . . 0.0 110.215 171.595 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.65 -29.72 27.42 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.621 0.724 . . . . 0.0 111.223 174.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.2 -40.4 34.26 Favored Glycine 0 N--CA 1.468 0.824 0 N-CA-C 108.209 -1.956 . . . . 0.0 108.209 174.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 22' ' ' PHE . 3.1 t -60.25 -40.0 82.41 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-O 122.944 1.354 . . . . 0.0 110.25 171.364 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.788 ' HB2' ' O ' ' A' ' 23' ' ' SER . 44.2 t-80 -75.25 -16.02 60.49 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.05 -177.272 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.5 tmm_? -83.97 -57.35 3.23 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.32 -0.862 . . . . 0.0 111.302 173.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.633 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.32 -0.699 0 CA-C-O 122.106 0.955 . . . . 0.0 110.853 174.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 . . . . . 0 CA--C 1.511 -0.555 0 CA-C-O 122.013 0.911 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 157.74 49.9 0.01 OUTLIER Glycine 0 C--N 1.321 -0.298 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.828 HG13 ' CG2' ' A' ' 16' ' ' VAL . 2.6 t -144.49 59.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 122.005 0.907 . . . . 0.0 110.971 175.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.46 ' O ' ' CG ' ' A' ' 8' ' ' HIS . 1.1 p-80 -150.92 77.89 1.28 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 124.138 1.923 . . . . 0.0 110.359 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -44.4 101.3 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 114.635 -1.166 . . . . 0.0 111.64 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . 1.023 HG22 ' HG2' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -124.72 -44.95 1.93 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.805 0.812 . . . . 0.0 111.201 -174.566 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 1.023 ' HG2' HG22 ' A' ' 10' ' ' THR . 9.0 mmmt -96.95 -100.65 0.18 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.913 0.863 . . . . 0.0 110.074 -174.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.6 m -127.54 46.78 2.48 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.018 0.913 . . . . 0.0 111.006 -178.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.79 159.62 8.02 Favored Glycine 0 C--N 1.32 -0.334 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 m -80.01 -53.7 6.48 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.253 1.025 . . . . 0.0 110.931 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 82.27 28.93 0.13 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.13 0.967 . . . . 0.0 110.985 176.541 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.828 ' CG2' HG13 ' A' ' 7' ' ' VAL . 1.7 t -70.85 147.95 10.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.91 0.862 . . . . 0.0 110.904 -177.326 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.83 ' CG ' ' HB2' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -78.26 112.09 14.89 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.951 0.881 . . . . 0.0 110.941 -177.545 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -88.32 -26.83 22.05 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.624 0.726 . . . . 0.0 111.359 -174.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.0 -31.94 41.53 Favored Glycine 0 N--CA 1.461 0.338 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 174.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.83 ' HB2' ' CG ' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -74.19 -31.98 62.88 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.833 0.825 . . . . 0.0 111.125 176.35 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . . . -78.37 -21.8 48.87 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.29 0.567 . . . . 0.0 111.493 175.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.457 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -76.82 -30.74 56.5 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.448 -0.783 . . . . 0.0 110.253 173.292 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.472 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 25.2 t -78.24 -27.42 47.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.806 0.813 . . . . 0.0 110.391 173.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -84.56 -21.81 30.31 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.159 0.504 . . . . 0.0 111.768 174.554 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.89 -44.72 6.64 Favored Glycine 0 N--CA 1.466 0.679 0 N-CA-C 109.13 -1.588 . . . . 0.0 109.13 174.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 22' ' ' PHE . 5.5 t -55.02 -38.55 46.29 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.47 0 CA-C-O 122.206 1.003 . . . . 0.0 110.523 172.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 23' ' ' SER . 7.1 t-160 -68.63 -38.1 80.26 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.002 0.905 . . . . 0.0 110.909 175.296 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.424 ' HB3' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -54.65 -50.29 68.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.994 0.902 . . . . 0.0 111.039 178.109 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.591 ' N ' HD23 ' A' ' 29' ' ' LEU . 1.3 mt . . . . . 0 C--N 1.32 -0.702 0 CA-C-O 121.44 0.638 . . . . 0.0 111.442 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 CA--C 1.51 -0.591 0 CA-C-O 121.997 0.903 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 88.74 39.82 6.49 Favored Glycine 0 C--N 1.32 -0.314 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 178.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.5 t -127.61 -48.39 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.955 0.883 . . . . 0.0 110.978 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.5 t60 61.14 66.99 0.83 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.008 0.908 . . . . 0.0 110.967 -177.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.49 ' HB2' ' HB3' ' A' ' 14' ' ' CYS . 42.7 t -80.95 95.59 6.81 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.002 0.906 . . . . 0.0 110.989 176.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.658 HG23 ' N ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -101.65 -159.42 0.73 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.347 0.594 . . . . 0.0 110.704 -174.909 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.658 ' N ' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER -96.45 37.11 1.29 Allowed 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.413 -0.804 . . . . 0.0 111.358 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 m -134.44 -42.9 0.77 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.107 0.956 . . . . 0.0 110.795 174.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.77 147.87 5.77 Favored Glycine 0 N--CA 1.461 0.308 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 174.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.49 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -111.47 -144.97 0.39 Allowed 'General case' 0 C--N 1.318 -0.77 0 O-C-N 121.875 -0.78 . . . . 0.0 109.927 -179.051 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.4 p 43.66 60.88 2.47 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.784 0.802 . . . . 0.0 111.419 -174.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.615 HG11 ' CH2' ' A' ' 18' ' ' TRP . 16.8 t -106.08 117.16 51.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.947 0.88 . . . . 0.0 111.601 -174.194 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -94.63 117.97 30.96 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.57 0.7 . . . . 0.0 110.58 173.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.615 ' CH2' HG11 ' A' ' 16' ' ' VAL . 49.6 m95 -88.32 -33.47 17.98 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.639 0.733 . . . . 0.0 111.591 -174.325 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.69 -43.85 73.71 Favored Glycine 0 N--CA 1.462 0.373 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 174.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.16 -25.29 59.64 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 122.176 -0.602 . . . . 0.0 111.526 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.496 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . . . -81.59 -18.86 43.33 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.527 -0.733 . . . . 0.0 111.753 177.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.451 ' O ' HG23 ' A' ' 26' ' ' VAL . 37.6 t80 -80.59 -32.12 36.57 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.389 -0.82 . . . . 0.0 109.877 172.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 28.7 t -78.68 -30.17 45.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.816 0.817 . . . . 0.0 110.385 172.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.496 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -84.81 -19.21 32.86 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.003 174.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.35 -44.65 6.13 Favored Glycine 0 N--CA 1.466 0.644 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 174.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 22' ' ' PHE . 6.8 t -56.17 -38.15 52.82 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.539 0 CA-C-O 121.933 0.873 . . . . 0.0 110.68 172.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 23' ' ' SER . 1.4 m170 -75.8 -34.4 60.18 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.955 0.883 . . . . 0.0 111.038 177.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.68 ' HB3' HD23 ' A' ' 29' ' ' LEU . 1.5 ttt180 -57.08 -46.45 82.52 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.989 0.899 . . . . 0.0 110.992 177.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.68 HD23 ' HB3' ' A' ' 28' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.32 -0.689 0 CA-C-O 121.9 0.857 . . . . 0.0 111.07 -175.213 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 CA--C 1.511 -0.548 0 CA-C-O 121.553 0.692 . . . . 0.0 111.88 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.76 64.22 1.38 Allowed Glycine 0 C--N 1.32 -0.336 0 CA-C-O 122.058 0.81 . . . . 0.0 111.54 174.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.415 HG12 ' CG2' ' A' ' 16' ' ' VAL . 0.5 OUTLIER -73.45 -2.75 3.67 Favored 'Isoleucine or valine' 0 C--O 1.246 0.89 0 O-C-N 121.978 -0.719 . . . . 0.0 112.678 -178.825 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.1 t60 66.01 87.54 0.12 Allowed 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.117 -0.989 . . . . 0.0 110.771 174.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.2 m -117.74 154.99 30.77 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.012 0.91 . . . . 0.0 110.994 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.5 p -128.57 -162.52 1.2 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.004 0.907 . . . . 0.0 110.978 175.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -97.7 41.59 1.12 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.911 0.863 . . . . 0.0 111.09 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -165.26 -51.11 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.992 0.901 . . . . 0.0 111.031 174.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -164.29 148.3 14.27 Favored Glycine 0 C--N 1.32 -0.348 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.7 m -89.93 -69.56 0.71 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.943 0.878 . . . . 0.0 110.979 -174.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.1 t 67.74 100.68 0.05 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.961 0.886 . . . . 0.0 111.011 174.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.415 ' CG2' HG12 ' A' ' 7' ' ' VAL . 2.8 t -91.37 112.75 25.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.86 0.838 . . . . 0.0 111.121 -174.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.804 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -72.36 152.04 42.31 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.925 0.869 . . . . 0.0 111.025 174.657 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -110.62 -43.56 3.82 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.751 0.786 . . . . 0.0 111.015 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.32 -44.78 63.77 Favored Glycine 0 N--CA 1.463 0.434 0 CA-C-O 122.549 1.083 . . . . 0.0 110.466 174.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.804 ' HB2' ' HB2' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -66.33 -25.85 67.02 Favored 'General case' 0 CA--C 1.509 -0.599 0 O-C-N 122.03 -0.688 . . . . 0.0 111.037 174.317 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . -70.83 -26.18 63.17 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 121.586 -0.696 . . . . 0.0 111.145 174.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 26' ' ' VAL . 40.4 t80 -76.09 -28.61 57.63 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.652 0.739 . . . . 0.0 110.251 173.207 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.459 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 63.9 m -77.27 -28.58 53.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.875 0.845 . . . . 0.0 110.4 172.435 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.97 -22.89 33.59 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.255 0.55 . . . . 0.0 111.819 174.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.63 -43.86 7.12 Favored Glycine 0 N--CA 1.465 0.62 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 174.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 22' ' ' PHE . 4.1 t -55.06 -35.32 34.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 122.154 0.978 . . . . 0.0 110.55 172.666 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.459 ' HB2' ' O ' ' A' ' 23' ' ' SER . 7.0 t-80 -72.78 -39.02 67.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.025 0.917 . . . . 0.0 110.969 174.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.41 -37.95 51.06 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.078 0.942 . . . . 0.0 111.03 177.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.547 ' N ' HD23 ' A' ' 29' ' ' LEU . 1.2 mt . . . . . 0 C--N 1.32 -0.708 0 CA-C-O 121.724 0.773 . . . . 0.0 111.233 177.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 CA--C 1.511 -0.553 0 CA-C-O 122.011 0.91 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.37 101.86 0.68 Allowed Glycine 0 C--N 1.319 -0.403 0 CA-C-O 122.982 1.323 . . . . 0.0 110.475 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.6 t -138.06 -71.01 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-O 121.99 0.9 . . . . 0.0 110.975 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.5 t60 54.74 71.2 0.55 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.994 0.902 . . . . 0.0 111.056 174.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.3 m -86.96 118.82 26.59 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.98 0.895 . . . . 0.0 111.034 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 t -159.75 155.69 26.35 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.037 0.922 . . . . 0.0 110.993 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.15 78.88 0.21 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.054 0.93 . . . . 0.0 110.988 175.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.8 m 68.92 65.16 0.29 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.06 0.933 . . . . 0.0 110.971 175.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.86 -155.9 46.98 Favored Glycine 0 C--N 1.321 -0.298 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 175.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.4 m -97.49 -75.51 0.54 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.805 0.812 . . . . 0.0 110.924 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.0 p 46.42 51.67 11.46 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.944 0.878 . . . . 0.0 111.305 -174.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 17' ' ' ASN . 0.4 OUTLIER -96.04 147.75 5.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 122.073 0.939 . . . . 0.0 111.292 -174.819 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.468 ' O ' HG22 ' A' ' 16' ' ' VAL . 1.3 t-20 -96.15 -159.95 0.76 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.499 0.666 . . . . 0.0 110.719 174.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -145.27 -42.79 0.22 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.621 0.724 . . . . 0.0 111.559 -177.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.69 -37.25 52.23 Favored Glycine 0 N--CA 1.462 0.378 0 N-CA-C 110.551 -1.02 . . . . 0.0 110.551 174.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -73.18 -25.93 60.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.296 0.569 . . . . 0.0 111.359 174.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.482 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . . . -82.24 -17.21 46.84 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 121.568 -0.707 . . . . 0.0 112.019 176.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -84.9 -26.68 27.13 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.304 -0.873 . . . . 0.0 110.134 172.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 t -83.94 -26.31 29.39 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.749 0.785 . . . . 0.0 110.233 171.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.616 ' O ' ' HB2' ' A' ' 28' ' ' ARG . . . -86.58 -27.39 23.93 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.601 0.715 . . . . 0.0 111.228 174.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.16 -41.48 39.03 Favored Glycine 0 N--CA 1.467 0.745 0 N-CA-C 108.36 -1.896 . . . . 0.0 108.36 173.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.557 HG12 ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -47.43 -63.31 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 CA-C-O 123.476 1.608 . . . . 0.0 110.659 172.046 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.557 ' N ' HG12 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -68.52 -27.65 66.3 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.053 -174.543 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.616 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 18.0 ttt180 -57.8 -37.69 74.21 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.055 0.931 . . . . 0.0 110.684 174.529 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.684 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.32 -0.697 0 CA-C-O 122.317 1.056 . . . . 0.0 110.878 174.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 CA--C 1.512 -0.496 0 CA-C-O 123.725 1.726 . . . . 0.0 111.442 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 121.74 4.14 9.77 Favored Glycine 0 C--N 1.319 -0.362 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.924 -172.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 8' ' ' HIS . 2.5 t -87.46 -69.15 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 122.142 0.972 . . . . 0.0 109.926 173.03 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.4 ' N ' HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER 52.05 82.86 0.06 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.786 1.279 . . . . 0.0 111.425 173.006 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -88.78 73.9 8.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 122.078 0.942 . . . . 0.0 110.848 174.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.2 p -83.44 -159.7 0.38 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.87 0.843 . . . . 0.0 110.981 -176.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -99.83 43.43 1.06 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.043 0.925 . . . . 0.0 111.021 174.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.7 t -140.34 -49.95 0.46 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.952 0.882 . . . . 0.0 111.004 174.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.55 142.48 5.94 Favored Glycine 0 C--N 1.321 -0.299 0 CA-C-O 122.029 0.794 . . . . 0.0 111.174 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 15' ' ' SER . 62.7 m -80.82 -63.02 1.5 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.093 0.949 . . . . 0.0 110.944 174.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.452 ' HB2' ' O ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER 70.19 73.02 0.22 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.953 0.883 . . . . 0.0 110.957 -174.802 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.9 t -145.65 160.13 12.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.991 0.9 . . . . 0.0 111.103 -174.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.654 ' CG ' ' HB3' ' A' ' 20' ' ' GLU . 9.6 t-20 -99.19 112.93 24.97 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.938 0.875 . . . . 0.0 110.985 174.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -94.05 -28.39 15.76 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.721 0.772 . . . . 0.0 111.359 -174.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.03 -34.96 40.27 Favored Glycine 0 N--CA 1.461 0.356 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.654 ' HB3' ' CG ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -67.35 -34.56 77.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.922 0.867 . . . . 0.0 111.005 174.879 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.66 -21.97 59.14 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.24 0.543 . . . . 0.0 111.456 177.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.456 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -75.41 -30.99 60.24 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 121.436 -0.79 . . . . 0.0 110.171 172.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -73.94 -31.49 63.07 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 122.058 0.932 . . . . 0.0 110.423 172.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.72 -24.11 31.35 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.744 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.73 -43.06 8.57 Favored Glycine 0 N--CA 1.465 0.609 0 N-CA-C 109.184 -1.567 . . . . 0.0 109.184 174.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 22' ' ' PHE . 2.8 t -52.37 -41.75 36.06 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-O 121.967 0.889 . . . . 0.0 110.575 172.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -70.06 -34.85 73.73 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.963 0.887 . . . . 0.0 111.058 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -53.9 -40.67 66.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.949 0.88 . . . . 0.0 110.96 175.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.605 ' N ' HD23 ' A' ' 29' ' ' LEU . 1.2 mt . . . . . 0 C--N 1.32 -0.687 0 CA-C-O 121.96 0.886 . . . . 0.0 111.051 178.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 44.9 t30 . . . . . 0 C--O 1.24 0.604 0 CA-C-O 121.195 0.521 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.31 -76.34 0.67 Allowed Glycine 0 N--CA 1.462 0.433 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 174.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.005 HG21 HG11 ' A' ' 16' ' ' VAL . 8.4 p -141.04 -60.59 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 122.357 1.075 . . . . 0.0 111.314 -174.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.548 ' CE1' ' CG2' ' A' ' 10' ' ' THR . 1.8 t60 137.9 77.11 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 127.924 2.489 . . . . 0.0 108.673 -171.199 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.452 ' HB2' ' HB3' ' A' ' 14' ' ' CYS . 16.3 t -59.13 95.02 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.996 0.903 . . . . 0.0 111.709 -173.306 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.548 ' CG2' ' CE1' ' A' ' 8' ' ' HIS . 1.4 t -173.55 29.73 0.01 OUTLIER 'General case' 0 C--O 1.242 0.68 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.553 174.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.576 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 10.4 ptmt -148.83 33.16 0.76 Allowed 'General case' 0 C--N 1.32 -0.714 0 O-C-N 121.292 -0.88 . . . . 0.0 111.821 -174.169 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.526 ' HB3' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER 89.29 -27.4 0.05 Allowed 'General case' 0 C--O 1.243 0.734 0 C-N-CA 124.097 0.959 . . . . 0.0 111.688 174.608 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -130.6 122.07 3.47 Favored Glycine 0 C--N 1.318 -0.433 0 O-C-N 121.26 -0.9 . . . . 0.0 110.899 174.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.642 ' O ' HG12 ' A' ' 7' ' ' VAL . 59.7 m -92.61 -56.97 2.82 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.823 1.297 . . . . 0.0 110.994 -177.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.29 56.21 3.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.949 1.357 . . . . 0.0 110.777 172.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.005 HG11 HG21 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -56.13 135.5 19.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 122.903 1.335 . . . . 0.0 112.623 -174.686 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.419 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -97.33 -148.07 0.32 Allowed 'General case' 0 C--O 1.244 0.814 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.705 172.241 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -141.13 -41.77 0.38 Allowed 'General case' 0 C--N 1.317 -0.808 0 O-C-N 121.503 -0.748 . . . . 0.0 111.069 174.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.57 -40.84 26.3 Favored Glycine 0 N--CA 1.462 0.413 0 CA-C-O 123.014 1.341 . . . . 0.0 109.963 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -74.16 -24.25 59.37 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 122.063 -0.669 . . . . 0.0 111.401 174.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . . . -77.33 -25.26 50.96 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.49 -0.756 . . . . 0.0 111.339 176.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.472 ' O ' HG23 ' A' ' 26' ' ' VAL . 63.3 t80 -78.11 -30.45 49.47 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.555 -0.715 . . . . 0.0 110.096 173.164 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 24.6 t -77.01 -27.67 54.72 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.865 0.84 . . . . 0.0 110.466 172.35 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.426 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -84.07 -24.15 30.52 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.233 0.54 . . . . 0.0 111.74 174.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.33 -42.77 8.37 Favored Glycine 0 N--CA 1.466 0.639 0 N-CA-C 109.229 -1.549 . . . . 0.0 109.229 174.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 22' ' ' PHE . 3.3 t -54.99 -40.08 52.29 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.466 0 CA-C-O 122.106 0.955 . . . . 0.0 110.582 172.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.493 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.1 OUTLIER -66.84 -42.24 86.09 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.986 0.898 . . . . 0.0 110.95 175.107 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -55.02 -35.58 64.57 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.992 0.901 . . . . 0.0 110.966 -176.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.578 ' N ' HD23 ' A' ' 29' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.32 -0.715 0 CA-C-O 121.881 0.848 . . . . 0.0 111.077 176.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.576 0 CA-C-O 121.997 0.903 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -129.9 36.92 3.99 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.83 0.824 . . . . 0.0 111.159 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.6 m-30 -99.07 28.68 4.27 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.712 0.768 . . . . 0.0 111.358 175.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.53 132.21 3.65 Favored Glycine 0 N--CA 1.462 0.377 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -174.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 68.01 133.14 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.464 0.649 . . . . 0.0 110.388 -173.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.11 -3.95 78.35 Favored Glycine 0 N--CA 1.459 0.227 0 O-C-N 121.359 -0.838 . . . . 0.0 112.618 -172.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.004 HG22 HG12 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -43.53 -35.17 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 C-N-CA 124.143 0.977 . . . . 0.0 113.324 -174.388 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.9 t60 59.02 77.74 0.29 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.94 0.876 . . . . 0.0 110.731 -173.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.74 117.49 2.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.905 0.86 . . . . 0.0 110.914 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 77.2 p -100.64 39.46 1.37 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.936 0.874 . . . . 0.0 111.037 -175.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 12' ' ' SER . 2.2 ttmt 53.52 40.55 31.55 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.975 0.893 . . . . 0.0 111.02 176.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.47 ' HB3' ' O ' ' A' ' 11' ' ' LYS . 93.6 p 174.63 42.97 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.026 0.917 . . . . 0.0 111.082 -175.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.34 129.34 4.04 Favored Glycine 0 C--N 1.32 -0.347 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.651 ' O ' HG12 ' A' ' 16' ' ' VAL . 0.5 OUTLIER -93.0 -83.94 0.3 Allowed 'General case' 0 C--N 1.32 -0.697 0 O-C-N 122.028 -0.689 . . . . 0.0 111.194 177.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.728 ' HA ' HG21 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -33.97 -43.17 0.14 Allowed 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 124.635 1.174 . . . . 0.0 113.478 -173.357 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.004 HG12 HG22 ' A' ' 7' ' ' VAL . 5.9 p 47.76 70.41 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.379 0.609 . . . . 0.0 112.636 173.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.931 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 1.8 t30 -79.53 140.55 37.2 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.406 -0.809 . . . . 0.0 109.29 172.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -80.94 -35.65 31.99 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.648 0.737 . . . . 0.0 111.361 -173.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.04 -38.86 39.25 Favored Glycine 0 N--CA 1.462 0.394 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 174.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.931 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -74.11 -13.32 60.81 Favored 'General case' 0 C--O 1.243 0.744 0 O-C-N 122.115 -0.638 . . . . 0.0 112.166 174.618 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.458 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . . . -82.76 -22.29 34.39 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.287 -0.883 . . . . 0.0 111.084 174.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -82.57 -28.81 30.69 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.526 -0.734 . . . . 0.0 109.993 171.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -79.05 -27.54 43.12 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.846 0.831 . . . . 0.0 110.236 171.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -84.95 -26.34 27.26 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.619 0.723 . . . . 0.0 110.958 173.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.33 -41.49 30.69 Favored Glycine 0 N--CA 1.467 0.704 0 N-CA-C 108.405 -1.878 . . . . 0.0 108.405 173.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.557 HG12 ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -48.51 -64.12 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 CA-C-O 123.331 1.539 . . . . 0.0 110.654 171.927 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.557 ' N ' HG12 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -67.87 -26.82 66.21 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.042 -174.606 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -42.23 75.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.109 0.957 . . . . 0.0 110.846 174.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.696 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -70.49 -37.37 74.19 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.006 0.908 . . . . 0.0 110.934 174.793 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.88 23.94 3.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.016 -175.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -92.79 24.87 3.39 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 121.468 -0.77 . . . . 0.0 112.074 174.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -111.4 -58.04 0.47 Allowed Glycine 0 N--CA 1.462 0.432 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 137.3 -58.18 0.65 Allowed Glycine 0 C--N 1.32 -0.338 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -137.09 30.94 2.7 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 121.947 -0.737 . . . . 0.0 111.495 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -119.69 50.04 0.84 Allowed Glycine 0 C--N 1.319 -0.371 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.576 ' HD2' ' CE3' ' A' ' 37' ' ' TRP . 49.6 t80 -121.22 -49.03 2.19 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.154 0.978 . . . . 0.0 111.0 177.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.576 ' CE3' ' HD2' ' A' ' 36' ' ' PHE . 4.0 m95 . . . . . 1 C--O 1.38 7.957 0 CA-C-O 121.99 0.9 . . . . 0.0 110.949 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.4 ' HE3' ' HB3' ' A' ' 1' ' ' LYS . 13.4 mtpt . . . . . 0 CA--C 1.511 -0.538 0 CA-C-O 122.174 0.988 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.64 43.07 1.12 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.322 1.058 . . . . 0.0 110.919 175.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -95.63 18.38 13.01 Favored 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 123.875 0.87 . . . . 0.0 111.969 -173.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.63 -102.03 0.21 Allowed Glycine 0 N--CA 1.464 0.519 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -174.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -167.06 34.13 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.997 0.903 . . . . 0.0 111.392 177.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.16 -25.19 73.47 Favored Glycine 0 C--O 1.241 0.56 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.607 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.523 ' HA ' HG21 ' A' ' 16' ' ' VAL . 38.2 t -52.75 -43.62 45.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 121.53 -0.983 . . . . 0.0 111.391 -175.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 60.36 65.24 1.09 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.986 0.898 . . . . 0.0 110.983 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.6 t -101.71 89.41 3.68 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.794 0.807 . . . . 0.0 110.949 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.7 p -145.1 44.11 1.33 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.681 0.753 . . . . 0.0 111.49 -174.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.716 ' O ' ' HB3' ' A' ' 12' ' ' SER . 0.0 OUTLIER -143.36 29.06 1.45 Allowed 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.603 -0.685 . . . . 0.0 111.778 174.558 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.716 ' HB3' ' O ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER 88.11 -38.86 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 124.62 1.168 . . . . 0.0 110.946 -174.522 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.84 160.54 24.9 Favored Glycine 0 N--CA 1.464 0.514 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 174.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 15' ' ' SER . 4.0 m -82.47 -135.72 0.04 OUTLIER 'General case' 0 C--O 1.246 0.883 0 O-C-N 121.73 -0.865 . . . . 0.0 110.093 -174.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.473 ' HB2' ' O ' ' A' ' 14' ' ' CYS . 7.6 t 177.49 -36.67 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.786 0 O-C-N 121.1 -1.0 . . . . 0.0 111.342 -174.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.523 HG21 ' HA ' ' A' ' 7' ' ' VAL . 67.5 t -58.06 98.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.854 0.835 . . . . 0.0 111.18 -174.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.882 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 8.1 t-20 -74.36 146.2 43.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.65 0.738 . . . . 0.0 110.61 174.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.7 m95 -98.28 -28.89 13.48 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.716 0.769 . . . . 0.0 111.341 -174.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.68 -43.23 12.15 Favored Glycine 0 N--CA 1.462 0.382 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 174.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.882 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 2.3 mm-40 -67.98 -21.86 65.04 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 122.125 -0.632 . . . . 0.0 111.573 174.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . -78.25 -22.46 48.34 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.453 -0.779 . . . . 0.0 111.764 176.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -79.73 -31.13 41.09 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.412 -0.805 . . . . 0.0 110.063 173.04 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.594 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 1.5 t -78.16 -27.05 48.01 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.702 0.763 . . . . 0.0 110.403 172.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -85.55 -23.07 27.82 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.312 0.577 . . . . 0.0 111.626 174.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.5 -45.17 7.5 Favored Glycine 0 N--CA 1.466 0.689 0 N-CA-C 109.049 -1.62 . . . . 0.0 109.049 174.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 t -54.89 -40.18 51.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 122.906 1.336 . . . . 0.0 110.176 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.594 ' HB2' ' O ' ' A' ' 23' ' ' SER . 6.5 t-80 -61.49 -40.6 95.16 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.99 174.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.12 -51.26 66.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.07 0.938 . . . . 0.0 110.945 177.402 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.438 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -62.62 -33.83 75.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.56 0.695 . . . . 0.0 110.997 174.716 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 27' ' ' HIS . . . -51.4 -31.21 21.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.552 0.691 . . . . 0.0 111.5 -175.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -60.18 -55.95 27.53 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.921 0.867 . . . . 0.0 110.978 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.12 -63.16 5.41 Favored Glycine 0 C--N 1.32 -0.35 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.4 85.47 0.23 Allowed Glycine 0 C--N 1.32 -0.347 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.47 -66.66 0.89 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.038 0.923 . . . . 0.0 111.0 -175.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.08 83.14 1.45 Allowed Glycine 0 C--N 1.32 -0.31 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -176.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -132.64 -46.29 0.88 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.331 1.062 . . . . 0.0 110.97 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 1 C--O 1.379 7.908 0 CA-C-O 121.986 0.898 . . . . 0.0 110.835 175.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.579 0 CA-C-O 121.906 0.86 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -142.13 42.65 1.67 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.975 0.893 . . . . 0.0 111.054 176.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.583 ' N ' ' HD1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -95.78 41.68 1.1 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.991 0.9 . . . . 0.0 110.746 178.455 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.25 136.47 2.16 Favored Glycine 0 C--N 1.32 -0.323 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -174.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.9 -33.03 74.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.729 0.776 . . . . 0.0 111.444 179.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.53 -13.49 58.65 Favored Glycine 0 C--O 1.242 0.62 0 O-C-N 121.752 -0.592 . . . . 0.0 113.931 -175.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 7' ' ' VAL . 48.7 t -98.36 52.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 O-C-N 121.21 -1.17 . . . . 0.0 110.957 -174.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -94.38 54.52 1.85 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.682 1.23 . . . . 0.0 110.67 174.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 64.2 m -44.65 103.6 0.04 OUTLIER 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.734 174.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 p -73.87 -96.75 0.01 OUTLIER 'General case' 0 C--O 1.242 0.705 0 O-C-N 121.684 -0.635 . . . . 0.0 111.509 -173.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.54 25.16 1.86 Allowed 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.275 -0.89 . . . . 0.0 111.679 -174.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.4 t -157.74 32.37 0.26 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.176 0.989 . . . . 0.0 110.66 -174.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.71 -148.74 18.93 Favored Glycine 0 C--N 1.321 -0.293 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -174.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.9 m -129.17 -71.55 0.62 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.008 0.909 . . . . 0.0 110.984 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.51 43.56 30.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.048 0.928 . . . . 0.0 110.996 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.75 115.56 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 122.037 0.922 . . . . 0.0 110.964 -174.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.768 ' HB3' ' HB3' ' A' ' 20' ' ' GLU . 57.1 t-20 -96.29 139.14 32.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.958 0.885 . . . . 0.0 110.974 176.085 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 40.9 m95 -87.99 -41.09 13.37 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.84 0.828 . . . . 0.0 111.178 -174.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.44 -41.87 83.65 Favored Glycine 0 C--N 1.32 -0.359 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 174.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.768 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . 2.0 tp10 -64.27 -31.73 73.04 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.968 0.89 . . . . 0.0 111.004 174.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . -73.34 -21.46 60.54 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.225 0.536 . . . . 0.0 111.625 178.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.432 ' O ' HG23 ' A' ' 26' ' ' VAL . 48.3 t80 -79.15 -30.48 43.62 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 121.451 -0.781 . . . . 0.0 110.107 173.145 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.816 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 4.2 t -77.34 -27.17 52.64 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.649 0.738 . . . . 0.0 110.349 172.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.433 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -84.88 -24.19 28.61 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.329 0.585 . . . . 0.0 111.471 174.136 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.411 ' HA2' ' HB2' ' A' ' 28' ' ' ARG . . . -82.31 -42.02 8.88 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 176.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 22' ' ' PHE . 8.2 t -60.06 -38.09 75.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 122.988 1.375 . . . . 0.0 110.352 171.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.816 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.6 OUTLIER -77.13 -17.03 58.93 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.891 174.846 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.411 ' HB2' ' HA2' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -77.8 -45.61 23.99 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.199 -0.938 . . . . 0.0 110.98 173.357 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.56 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -63.24 -55.38 25.41 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.927 0.87 . . . . 0.0 110.997 177.878 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.732 ' HB2' ' C ' ' A' ' 34' ' ' ASN . . . -48.68 -62.16 1.65 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.439 1.114 . . . . 0.0 110.859 174.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 t30 50.82 18.74 0.54 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.166 0.984 . . . . 0.0 111.917 -175.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 152.15 42.89 0.02 OUTLIER Glycine 0 N--CA 1.462 0.428 0 O-C-N 120.927 -1.108 . . . . 0.0 110.84 -174.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.487 ' C ' ' HB1' ' A' ' 30' ' ' ALA . . . 164.51 -114.93 0.62 Allowed Glycine 0 C--N 1.32 -0.319 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -174.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.732 ' C ' ' HB2' ' A' ' 30' ' ' ALA . 1.9 m120 -138.95 -58.23 0.61 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.941 0.876 . . . . 0.0 111.054 -175.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.85 62.6 1.75 Allowed Glycine 0 C--N 1.32 -0.361 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 177.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -99.2 -17.07 18.32 Favored 'General case' 0 C--O 1.244 0.779 0 O-C-N 122.031 -0.687 . . . . 0.0 112.401 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.1 m95 . . . . . 1 C--O 1.381 7.994 0 O-C-N 121.284 -0.885 . . . . 0.0 110.878 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 2' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.494 0 CA-C-O 122.865 1.317 . . . . 0.0 111.0 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 1' ' ' LYS . 52.8 m-85 78.02 -12.08 1.12 Allowed 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 124.805 1.242 . . . . 0.0 114.021 -176.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 25.23 39.79 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 126.003 1.721 . . . . 0.0 114.463 -174.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 35.66 59.6 0.85 Allowed Glycine 0 C--O 1.24 0.519 0 C-N-CA 124.032 0.825 . . . . 0.0 114.256 174.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -81.17 -90.01 0.07 Allowed 'General case' 0 C--N 1.319 -0.735 0 O-C-N 121.444 -1.033 . . . . 0.0 111.6 -173.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.75 34.91 0.3 Allowed Glycine 0 N--CA 1.461 0.365 0 O-C-N 121.429 -0.794 . . . . 0.0 111.311 -174.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.45 HG12 ' HB3' ' A' ' 14' ' ' CYS . 2.6 t -57.96 -22.2 18.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 O-C-N 121.881 -0.776 . . . . 0.0 111.465 174.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.3 t60 68.75 65.26 0.31 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.095 0.95 . . . . 0.0 110.783 174.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.2 m -90.35 -177.87 5.21 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.073 0.94 . . . . 0.0 110.988 174.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -161.08 -56.87 0.05 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.965 0.888 . . . . 0.0 111.003 174.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -117.34 -103.84 0.41 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.712 0.768 . . . . 0.0 109.99 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 p -91.03 -38.42 12.82 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.853 0.835 . . . . 0.0 111.193 -174.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.66 177.04 20.41 Favored Glycine 0 C--N 1.32 -0.326 0 CA-C-O 122.074 0.819 . . . . 0.0 111.283 -174.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.45 ' HB3' HG12 ' A' ' 7' ' ' VAL . 95.3 m -129.01 -68.73 0.73 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.116 0.96 . . . . 0.0 110.996 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m 63.94 85.38 0.14 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.002 0.906 . . . . 0.0 110.978 175.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.7 p -107.19 65.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.99 0.9 . . . . 0.0 111.048 -175.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.894 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 43.7 t-20 -55.03 119.41 5.41 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.893 0.854 . . . . 0.0 110.853 174.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -69.59 -35.7 75.55 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.909 0.861 . . . . 0.0 111.151 -174.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.33 -37.12 92.55 Favored Glycine 0 C--N 1.32 -0.314 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 175.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.894 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -66.24 -24.92 66.68 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 122.021 -0.694 . . . . 0.0 111.609 176.306 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.63 -29.03 59.03 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.465 -0.772 . . . . 0.0 111.168 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.453 ' O ' HG23 ' A' ' 26' ' ' VAL . 16.0 t80 -75.83 -27.41 57.86 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.62 -0.675 . . . . 0.0 110.3 173.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.527 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -78.23 -27.8 47.77 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.923 0.868 . . . . 0.0 110.355 172.248 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.52 -23.37 34.63 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.667 174.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.5 ' O ' ' HB3' ' A' ' 28' ' ' ARG . . . -83.76 -44.04 6.99 Favored Glycine 0 N--CA 1.466 0.673 0 N-CA-C 109.169 -1.573 . . . . 0.0 109.169 174.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 22' ' ' PHE . 4.2 t -55.66 -36.81 43.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 122.033 0.921 . . . . 0.0 110.487 172.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.527 ' HB2' ' O ' ' A' ' 23' ' ' SER . 41.0 t-80 -75.45 -31.89 60.45 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.988 0.899 . . . . 0.0 110.928 177.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.5 ' HB3' ' O ' ' A' ' 25' ' ' GLY . 2.5 ttm180 -54.44 -44.35 72.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.021 0.915 . . . . 0.0 110.967 174.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.461 ' N ' HD23 ' A' ' 29' ' ' LEU . 2.5 mt -75.06 -33.08 61.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.811 0.815 . . . . 0.0 111.28 174.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.93 -31.36 39.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.829 0.824 . . . . 0.0 111.204 -177.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -66.31 -48.15 71.25 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.019 0.914 . . . . 0.0 110.985 175.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -105.61 52.68 0.69 Allowed Glycine 0 C--N 1.321 -0.301 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 174.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.54 104.39 0.17 Allowed Glycine 0 C--N 1.32 -0.324 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -67.12 -72.0 0.18 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.024 0.916 . . . . 0.0 110.994 176.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -133.17 42.35 1.38 Allowed Glycine 0 C--N 1.32 -0.34 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 175.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -135.52 14.89 3.43 Favored 'General case' 0 C--O 1.242 0.687 0 O-C-N 121.913 -0.757 . . . . 0.0 112.386 175.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.6 m-90 . . . . . 1 C--O 1.382 8.035 0 CA-C-O 121.888 0.851 . . . . 0.0 111.793 -175.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.773 ' HB3' ' CD1' ' A' ' 2' ' ' TYR . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.564 0 CA-C-O 121.869 0.842 . . . . 0.0 110.97 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.773 ' CD1' ' HB3' ' A' ' 1' ' ' LYS . 0.9 OUTLIER 53.43 45.61 27.96 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.339 1.066 . . . . 0.0 110.777 179.122 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -87.06 20.51 2.65 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.746 178.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.49 -31.79 60.47 Favored Glycine 0 N--CA 1.464 0.525 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 174.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -73.01 -56.03 5.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.058 0.932 . . . . 0.0 110.936 174.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.61 72.42 0.27 Allowed Glycine 0 C--N 1.32 -0.306 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.626 HG22 HG12 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -102.77 -35.52 3.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 122.039 0.923 . . . . 0.0 110.996 178.812 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.4 t60 57.56 60.67 2.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.101 0.953 . . . . 0.0 110.947 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -58.38 116.64 3.75 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.235 1.017 . . . . 0.0 110.711 -179.382 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.47 -162.83 0.94 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.046 0.927 . . . . 0.0 111.043 176.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -103.81 38.15 1.89 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.039 0.923 . . . . 0.0 110.93 175.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.72 44.71 0.06 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.105 0.955 . . . . 0.0 110.854 174.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.65 134.94 4.1 Favored Glycine 0 N--CA 1.462 0.386 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 -174.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.442 ' O ' HG22 ' A' ' 7' ' ' VAL . 93.3 m -133.55 -58.35 0.88 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.049 0.928 . . . . 0.0 111.562 -174.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.7 m -85.81 85.97 7.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.236 1.017 . . . . 0.0 111.048 -175.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.626 HG12 HG22 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -79.45 148.96 5.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 122.015 0.912 . . . . 0.0 111.048 177.138 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -94.43 102.17 14.12 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.954 0.883 . . . . 0.0 110.974 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -80.72 -31.92 35.94 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.89 0.852 . . . . 0.0 111.126 -174.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.93 -41.89 95.14 Favored Glycine 0 N--CA 1.461 0.318 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 175.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.65 -33.28 73.68 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.97 0.89 . . . . 0.0 111.009 177.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.59 -25.75 63.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.452 0.644 . . . . 0.0 111.167 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.478 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -75.39 -27.52 59.11 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.55 -0.719 . . . . 0.0 110.322 173.214 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 t -77.71 -28.32 50.9 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.914 0.864 . . . . 0.0 110.39 172.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.64 -25.17 33.37 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.337 0.589 . . . . 0.0 111.625 174.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.82 -41.92 9.33 Favored Glycine 0 N--CA 1.466 0.641 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 174.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 22' ' ' PHE . 2.6 t -54.02 -41.22 49.05 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.496 0 CA-C-O 122.038 0.923 . . . . 0.0 110.612 172.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -34.6 72.72 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.015 0.912 . . . . 0.0 110.988 177.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.482 ' HB3' HD23 ' A' ' 29' ' ' LEU . 21.4 ttp85 -51.57 -45.2 62.99 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.008 0.908 . . . . 0.0 110.987 175.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.498 ' N ' HD23 ' A' ' 29' ' ' LEU . 1.6 mt -85.21 -34.88 21.93 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.926 0.87 . . . . 0.0 111.181 -176.088 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.36 -3.67 15.12 Favored 'General case' 0 C--O 1.244 0.791 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -48.48 -33.77 10.0 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.149 -0.97 . . . . 0.0 111.413 174.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.15 -92.61 1.13 Allowed Glycine 0 C--N 1.32 -0.315 0 CA-C-O 122.068 0.816 . . . . 0.0 111.068 -175.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.06 167.94 34.2 Favored Glycine 0 CA--C 1.509 -0.307 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -175.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -62.11 -38.7 89.9 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.945 0.878 . . . . 0.0 110.961 -177.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -127.77 -99.52 1.02 Allowed Glycine 0 C--N 1.32 -0.348 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -175.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.598 ' HB3' ' CE3' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -109.36 -43.74 4.06 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.997 0.903 . . . . 0.0 111.002 -178.67 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.598 ' CE3' ' HB3' ' A' ' 36' ' ' PHE . 1.0 OUTLIER . . . . . 1 C--O 1.38 7.959 0 CA-C-O 121.981 0.896 . . . . 0.0 111.005 -175.834 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.513 -0.447 0 CA-C-O 122.926 1.346 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.981 ' HB3' HG21 ' A' ' 7' ' ' VAL . 9.2 p90 -174.77 61.02 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.854 1.311 . . . . 0.0 109.769 178.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -94.47 22.05 6.54 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 124.467 1.107 . . . . 0.0 112.434 -171.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.48 -13.27 20.91 Favored Glycine 0 C--O 1.242 0.637 0 O-C-N 121.254 -0.904 . . . . 0.0 112.737 -173.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -47.23 -60.43 2.49 Favored 'General case' 0 C--N 1.318 -0.773 0 O-C-N 121.355 -1.085 . . . . 0.0 111.669 176.26 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.59 77.26 0.02 OUTLIER Glycine 0 C--N 1.32 -0.31 0 CA-C-O 122.018 0.788 . . . . 0.0 111.617 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.981 HG21 ' HB3' ' A' ' 2' ' ' TYR . 2.4 t -89.15 -25.24 5.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 O-C-N 122.027 -0.69 . . . . 0.0 111.185 174.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.7 t60 60.78 59.95 2.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.906 0.86 . . . . 0.0 110.695 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.0 m -47.29 147.75 1.48 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.865 0.84 . . . . 0.0 111.017 174.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.7 p -145.3 -159.65 1.03 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.695 0.759 . . . . 0.0 110.888 178.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.484 ' H ' ' HG3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -99.37 36.76 1.68 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.026 0.917 . . . . 0.0 110.888 174.638 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -136.28 -43.4 0.63 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.073 0.94 . . . . 0.0 110.84 174.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 165.62 159.24 11.46 Favored Glycine 0 C--N 1.32 -0.326 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 174.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.627 ' HB3' HG11 ' A' ' 7' ' ' VAL . 57.7 m -90.8 -140.37 0.16 Allowed 'General case' 0 C--O 1.246 0.911 0 O-C-N 121.961 -0.729 . . . . 0.0 109.816 174.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.75 81.62 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.797 0 O-C-N 121.498 -0.751 . . . . 0.0 111.847 -177.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.542 ' CG1' ' CE2' ' A' ' 18' ' ' TRP . 99.6 t -137.15 91.78 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.687 0.755 . . . . 0.0 112.511 -174.286 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.42 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 60.9 t30 -83.51 -9.93 58.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.487 0.661 . . . . 0.0 111.96 171.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.542 ' CE2' ' CG1' ' A' ' 16' ' ' VAL . 72.7 m95 58.74 -7.96 0.04 OUTLIER 'General case' 0 C--O 1.249 1.067 0 N-CA-C 117.476 2.399 . . . . 0.0 117.476 -172.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.85 -37.63 2.52 Favored Glycine 0 C--N 1.315 -0.633 0 CA-C-O 123.799 1.777 . . . . 0.0 108.85 171.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 3.3 mt-10 -79.21 -13.54 59.63 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-N 114.141 -1.029 . . . . 0.0 111.397 172.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.55 -31.08 47.25 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.026 0.917 . . . . 0.0 110.572 173.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.451 ' O ' HG23 ' A' ' 26' ' ' VAL . 79.8 t80 -77.02 -29.09 55.2 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.53 0.681 . . . . 0.0 110.217 173.082 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.817 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -77.9 -27.19 49.5 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.019 0.914 . . . . 0.0 110.336 171.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.75 -23.62 33.9 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.26 0.552 . . . . 0.0 111.679 174.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.424 ' O ' ' HB3' ' A' ' 28' ' ' ARG . . . -83.74 -44.6 6.74 Favored Glycine 0 N--CA 1.466 0.646 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 174.144 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 22' ' ' PHE . 5.4 t -55.69 -37.19 45.52 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 CA-C-O 122.086 0.946 . . . . 0.0 110.553 172.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.817 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -78.46 -30.34 47.38 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.952 0.882 . . . . 0.0 111.016 179.435 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.437 ' HG3' HD23 ' A' ' 29' ' ' LEU . 11.3 tpt180 -56.4 -39.95 73.85 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.996 0.903 . . . . 0.0 110.923 174.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.626 ' N ' HD23 ' A' ' 29' ' ' LEU . 1.3 mt -84.64 -29.93 25.32 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.712 0.768 . . . . 0.0 111.196 175.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.618 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . . . -90.81 21.97 3.83 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 121.82 -0.55 . . . . 0.0 112.311 178.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -69.99 -39.04 76.15 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.957 0.884 . . . . 0.0 110.94 174.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.42 -48.43 1.55 Allowed Glycine 0 C--N 1.32 -0.335 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -178.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.82 84.43 0.4 Allowed Glycine 0 C--N 1.32 -0.356 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.85 -65.82 0.96 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.056 0.931 . . . . 0.0 111.033 176.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -126.64 50.38 0.88 Allowed Glycine 0 N--CA 1.46 0.3 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.618 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 4.4 t80 -90.4 -31.76 16.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.591 0.71 . . . . 0.0 111.232 -179.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 1 C--O 1.379 7.918 0 CA-C-O 121.931 0.872 . . . . 0.0 110.833 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt . . . . . 0 CA--C 1.51 -0.584 0 CA-C-O 121.942 0.877 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -169.29 60.46 0.05 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.925 0.869 . . . . 0.0 110.992 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.443 ' HD1' ' C ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -96.55 26.31 4.52 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.547 0.689 . . . . 0.0 111.37 -179.509 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.32 -78.17 0.06 OUTLIER Glycine 0 N--CA 1.462 0.404 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -174.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -148.94 132.37 16.63 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.287 1.041 . . . . 0.0 111.487 -175.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.427 ' O ' HG23 ' A' ' 7' ' ' VAL . . . 143.16 -16.69 2.33 Favored Glycine 0 C--N 1.32 -0.318 0 CA-C-N 115.694 -0.685 . . . . 0.0 114.673 173.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 6' ' ' GLY . 78.8 t -166.37 -61.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 122.462 1.125 . . . . 0.0 110.64 -174.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.8 t60 62.84 85.36 0.13 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 122.059 0.933 . . . . 0.0 111.065 -174.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.9 m -118.15 90.55 3.36 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.959 0.885 . . . . 0.0 110.839 174.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.2 m -55.69 -78.2 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.883 0.849 . . . . 0.0 111.262 -174.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.7 -36.85 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.852 1.31 . . . . 0.0 112.914 -174.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.3 t -75.96 -31.99 59.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.596 -1.183 . . . . 0.0 110.941 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 165.18 143.51 3.75 Favored Glycine 0 C--N 1.32 -0.324 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 174.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 95.5 m -65.99 -83.69 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.894 -0.769 . . . . 0.0 110.906 -176.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.7 m 52.91 32.83 13.23 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.887 0.851 . . . . 0.0 111.23 175.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -54.86 124.96 8.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.98 0.895 . . . . 0.0 110.951 -176.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.789 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 13.7 t-20 -81.69 136.66 35.48 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.001 0.905 . . . . 0.0 111.013 177.025 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -90.13 -28.26 19.07 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.781 0.8 . . . . 0.0 111.325 -174.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.39 -33.62 34.73 Favored Glycine 0 N--CA 1.462 0.37 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 174.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.789 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -74.48 -27.22 60.48 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 122.058 -0.672 . . . . 0.0 111.31 175.364 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . . . -78.02 -28.42 49.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.566 0.698 . . . . 0.0 111.314 176.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.449 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.4 t80 -76.83 -28.55 55.55 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.622 0.725 . . . . 0.0 110.208 173.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.687 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -78.64 -27.7 45.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.784 0.802 . . . . 0.0 110.332 172.442 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -82.33 -23.81 34.92 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.339 0.59 . . . . 0.0 111.533 174.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.97 -45.08 6.82 Favored Glycine 0 N--CA 1.467 0.719 0 N-CA-C 109.081 -1.607 . . . . 0.0 109.081 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.507 HG13 ' HE2' ' A' ' 36' ' ' PHE . 6.6 t -56.07 -33.27 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 122.515 1.15 . . . . 0.0 110.452 172.242 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.687 ' HB2' ' O ' ' A' ' 23' ' ' SER . 1.2 t-80 -72.01 -36.71 69.8 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.966 0.889 . . . . 0.0 111.019 174.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.09 -57.62 10.4 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.121 0.962 . . . . 0.0 110.727 176.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -59.46 -38.59 81.17 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.098 0.952 . . . . 0.0 110.942 174.526 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' A' ' 27' ' ' HIS . . . -63.07 -19.5 64.46 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.203 -175.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -51.77 -37.11 49.98 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.358 -0.838 . . . . 0.0 111.4 -177.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.14 -77.2 0.18 Allowed Glycine 0 C--N 1.32 -0.356 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.16 -154.71 2.84 Favored Glycine 0 C--N 1.32 -0.358 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -82.6 -77.58 0.23 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.0 0.905 . . . . 0.0 110.977 177.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -125.88 -97.01 1.06 Allowed Glycine 0 C--N 1.32 -0.33 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -175.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.507 ' HE2' HG13 ' A' ' 26' ' ' VAL . 1.1 t80 -134.74 -59.58 0.8 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.514 1.15 . . . . 0.0 110.934 -177.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 1 C--O 1.38 7.942 0 CA-C-O 122.021 0.915 . . . . 0.0 111.005 179.23 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.497 ' HB3' ' CD1' ' A' ' 2' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.563 0 CA-C-O 121.907 0.86 . . . . 0.0 111.113 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.497 ' CD1' ' HB3' ' A' ' 1' ' ' LYS . 0.0 OUTLIER 61.97 53.94 2.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.886 1.327 . . . . 0.0 109.92 -178.856 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -92.17 18.03 8.73 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 124.082 0.953 . . . . 0.0 112.73 -171.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.45 85.95 0.02 OUTLIER Glycine 0 C--N 1.319 -0.385 0 O-C-N 121.327 -0.858 . . . . 0.0 112.188 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -88.41 -38.55 14.97 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.27 1.033 . . . . 0.0 110.638 174.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -148.39 31.54 1.27 Allowed Glycine 0 C--N 1.32 -0.323 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 174.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.645 HG13 ' HB ' ' A' ' 16' ' ' VAL . 48.8 t -99.01 -67.8 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 122.079 0.942 . . . . 0.0 110.884 -174.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 60.01 80.04 0.22 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.032 0.92 . . . . 0.0 111.336 174.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.46 117.62 6.42 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.457 0.646 . . . . 0.0 110.605 174.259 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.83 -85.07 0.57 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.754 0.787 . . . . 0.0 111.945 -173.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.528 ' HG2' ' H ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -96.46 -101.41 0.18 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.826 0.822 . . . . 0.0 110.447 -173.563 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.9 m -47.57 -26.13 1.36 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.931 -174.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.16 -141.48 8.54 Favored Glycine 0 N--CA 1.462 0.373 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 174.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.4 m -94.41 -88.35 0.24 Allowed 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.864 -0.786 . . . . 0.0 110.652 174.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m 48.64 55.98 8.27 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.854 0.835 . . . . 0.0 111.217 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.645 ' HB ' HG13 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -52.93 106.57 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 122.015 0.912 . . . . 0.0 111.174 -174.624 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -51.53 101.44 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.982 0.896 . . . . 0.0 111.005 174.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -64.6 -25.54 68.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.491 0.662 . . . . 0.0 111.416 -174.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.86 -48.74 81.88 Favored Glycine 0 N--CA 1.461 0.321 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 174.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -62.94 -34.31 77.2 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.837 0.827 . . . . 0.0 111.065 -177.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.79 -24.15 61.69 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.444 0.64 . . . . 0.0 111.304 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.7 t80 -76.13 -28.33 57.39 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.521 -0.737 . . . . 0.0 110.282 173.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.605 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 1.2 t -77.81 -28.43 50.32 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.908 0.861 . . . . 0.0 110.375 172.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.3 -22.49 32.94 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.185 0.517 . . . . 0.0 111.783 174.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' A' ' 28' ' ' ARG . . . -83.84 -43.77 7.07 Favored Glycine 0 N--CA 1.466 0.66 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 174.387 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 22' ' ' PHE . 4.8 t -56.01 -36.44 44.65 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 CA-C-O 122.236 1.017 . . . . 0.0 110.531 172.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.605 ' HB2' ' O ' ' A' ' 23' ' ' SER . 1.2 t-80 -69.34 -38.42 78.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.012 0.911 . . . . 0.0 110.904 174.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.526 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 12.1 mtp180 -52.48 -52.49 54.12 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.995 0.902 . . . . 0.0 111.002 175.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.586 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -73.42 -33.51 64.98 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.793 0.806 . . . . 0.0 111.259 178.085 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 26' ' ' VAL . . . -54.94 -27.33 42.69 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.787 -0.571 . . . . 0.0 111.823 -175.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -52.69 -41.86 64.28 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.804 0.811 . . . . 0.0 111.412 -174.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.99 -54.27 38.89 Favored Glycine 0 C--N 1.319 -0.37 0 CA-C-O 121.912 0.729 . . . . 0.0 111.298 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.15 -152.74 24.82 Favored Glycine 0 C--N 1.32 -0.331 0 CA-C-O 122.071 0.817 . . . . 0.0 111.237 -174.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -114.05 -34.14 5.48 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.822 0.82 . . . . 0.0 111.138 176.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -118.5 -98.39 1.87 Allowed Glycine 0 N--CA 1.461 0.33 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -174.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -115.93 -62.32 1.61 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.48 1.133 . . . . 0.0 110.967 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 . . . . . 1 C--O 1.38 7.939 0 CA-C-O 122.003 0.906 . . . . 0.0 111.029 -177.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.509 -0.603 0 CA-C-O 122.197 0.998 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.508 ' HD1' ' H ' ' A' ' 2' ' ' TYR . 1.5 p90 -70.84 -5.18 28.48 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 175.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.76 ' O ' HG22 ' A' ' 7' ' ' VAL . 5.3 p90 -106.83 34.96 3.17 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 122.004 0.907 . . . . 0.0 110.963 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -17.24 -105.3 0.0 OUTLIER Glycine 0 CA--C 1.506 -0.501 0 N-CA-C 117.843 1.897 . . . . 0.0 117.843 -173.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.12 137.96 35.93 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 121.323 -1.104 . . . . 0.0 111.309 177.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 97.01 26.95 9.81 Favored Glycine 0 C--O 1.242 0.606 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.643 174.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.76 HG22 ' O ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -85.26 -34.54 8.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 O-C-N 121.361 -1.082 . . . . 0.0 110.839 174.445 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.6 t60 62.52 88.05 0.1 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.054 0.93 . . . . 0.0 111.367 174.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 m -118.48 91.59 3.6 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.534 0.683 . . . . 0.0 110.632 174.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.94 -91.6 0.5 Allowed 'General case' 0 C--N 1.32 -0.684 0 O-C-N 121.649 -0.657 . . . . 0.0 112.148 -173.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' H ' ' HG3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -107.14 34.91 3.24 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.393 -0.817 . . . . 0.0 112.072 -173.181 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.92 60.56 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.009 0.909 . . . . 0.0 110.983 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.18 -168.6 0.7 Allowed Glycine 0 N--CA 1.464 0.501 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -174.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.0 m -68.35 -75.94 0.1 Allowed 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.664 -0.903 . . . . 0.0 110.846 174.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.98 71.33 0.5 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.012 0.91 . . . . 0.0 110.958 178.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 t -81.72 107.41 13.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.959 0.885 . . . . 0.0 111.24 -174.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.624 ' OD1' ' HG3' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -53.12 112.05 0.79 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.874 0.845 . . . . 0.0 110.786 174.446 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -79.48 -27.61 41.52 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.68 0.753 . . . . 0.0 111.444 -174.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.93 -49.51 53.87 Favored Glycine 0 N--CA 1.461 0.337 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 174.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.624 ' HG3' ' OD1' ' A' ' 17' ' ' ASN . 2.6 mm-40 -62.08 -27.89 69.23 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.947 -0.737 . . . . 0.0 111.471 176.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.06 -27.28 61.65 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.612 0.72 . . . . 0.0 111.17 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.461 ' O ' HG23 ' A' ' 26' ' ' VAL . 5.0 t80 -75.83 -27.3 57.83 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.574 0.702 . . . . 0.0 110.332 173.258 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.4 m -78.47 -28.14 46.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.88 0.848 . . . . 0.0 110.359 172.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.01 -25.02 35.07 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.302 0.573 . . . . 0.0 111.454 174.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.485 ' HA2' ' HB2' ' A' ' 28' ' ' ARG . . . -82.14 -42.86 8.44 Favored Glycine 0 N--CA 1.465 0.632 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 174.077 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 22' ' ' PHE . 2.6 t -53.35 -38.23 31.44 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.461 0 CA-C-O 122.154 0.978 . . . . 0.0 110.467 172.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -40.12 72.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 122.024 0.916 . . . . 0.0 110.886 174.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.522 ' HB3' HD23 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -50.47 -49.26 55.69 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.961 0.886 . . . . 0.0 111.053 176.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.651 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -71.6 -29.96 65.28 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.846 0.831 . . . . 0.0 111.173 179.654 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.64 21.32 4.07 Favored 'General case' 0 C--N 1.32 -0.714 0 O-C-N 121.811 -0.556 . . . . 0.0 112.382 176.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -94.65 -31.22 13.93 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.942 0.877 . . . . 0.0 111.054 174.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.51 -64.37 3.71 Favored Glycine 0 C--N 1.32 -0.358 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 137.1 66.9 0.05 OUTLIER Glycine 0 C--N 1.32 -0.319 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -148.69 -70.05 0.21 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.012 0.91 . . . . 0.0 111.002 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.55 -68.76 0.18 Allowed Glycine 0 N--CA 1.46 0.299 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -155.16 -56.07 0.1 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.406 1.098 . . . . 0.0 110.939 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 1 C--O 1.38 7.928 0 CA-C-O 121.979 0.895 . . . . 0.0 110.95 178.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.585 0 CA-C-O 122.034 0.921 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -156.63 69.17 0.6 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.992 0.901 . . . . 0.0 110.986 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.43 ' N ' ' HD1' ' A' ' 3' ' ' TYR . 0.9 OUTLIER -94.81 40.11 1.1 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.716 0.769 . . . . 0.0 111.294 178.638 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.52 -110.48 0.45 Allowed Glycine 0 C--N 1.319 -0.373 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -157.26 29.12 0.29 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.566 0.698 . . . . 0.0 111.671 -174.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.535 ' O ' HG23 ' A' ' 7' ' ' VAL . . . -136.6 62.96 0.59 Allowed Glycine 0 C--N 1.32 -0.325 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 178.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 6' ' ' GLY . 3.3 t -162.16 -62.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 122.004 0.906 . . . . 0.0 111.067 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.841 ' O ' HG22 ' A' ' 10' ' ' THR . 0.2 OUTLIER 24.44 57.41 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 126.278 1.831 . . . . 0.0 113.66 179.651 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 75.7 m -46.57 98.54 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.707 173.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.841 HG22 ' O ' ' A' ' 8' ' ' HIS . 11.2 t -172.67 28.68 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.848 0.832 . . . . 0.0 111.308 -173.235 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -148.18 48.92 1.05 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.019 0.914 . . . . 0.0 111.03 -174.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t 63.04 39.74 9.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.977 0.894 . . . . 0.0 110.924 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.04 159.03 9.91 Favored Glycine 0 C--N 1.32 -0.351 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -174.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 77.3 m -86.63 -107.11 0.06 Allowed 'General case' 0 C--O 1.245 0.836 0 O-C-N 121.79 -0.83 . . . . 0.0 110.594 -175.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.12 -45.81 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 122.029 0.919 . . . . 0.0 111.054 -174.163 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 16' ' ' VAL . 1.2 t -80.1 108.9 14.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 122.108 0.956 . . . . 0.0 111.458 -174.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.966 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -66.41 129.64 40.51 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.922 0.868 . . . . 0.0 111.118 174.515 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -94.76 -39.15 10.43 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.792 0.806 . . . . 0.0 111.203 -175.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.19 -42.14 94.47 Favored Glycine 0 N--CA 1.462 0.383 0 CA-C-O 122.392 0.995 . . . . 0.0 110.696 174.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.966 ' HB2' ' HB2' ' A' ' 17' ' ' ASN . 1.6 mp0 -65.67 -26.87 67.98 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.665 0.745 . . . . 0.0 111.025 174.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.5 -25.52 63.18 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 121.589 -0.694 . . . . 0.0 111.286 174.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.463 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.4 t80 -76.06 -29.63 58.09 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.506 -0.746 . . . . 0.0 110.251 173.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.606 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 2.6 t -76.88 -28.18 55.28 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.814 0.816 . . . . 0.0 110.491 172.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.35 -23.97 32.26 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.263 0.554 . . . . 0.0 111.743 174.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.46 -44.48 7.38 Favored Glycine 0 N--CA 1.466 0.641 0 N-CA-C 109.148 -1.581 . . . . 0.0 109.148 174.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 22' ' ' PHE . 5.6 t -55.45 -35.39 37.38 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 CA-C-O 122.453 1.121 . . . . 0.0 110.392 172.341 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.606 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -69.47 -36.98 77.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.013 0.911 . . . . 0.0 110.896 174.627 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.4 -58.32 7.54 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.122 0.963 . . . . 0.0 110.86 174.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 pp -61.96 -33.42 74.27 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.684 0.754 . . . . 0.0 111.302 175.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.51 27.54 3.78 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.353 0.597 . . . . 0.0 112.006 -174.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -49.24 -30.27 6.93 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.937 0.875 . . . . 0.0 111.057 174.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -111.73 -97.16 2.35 Favored Glycine 0 N--CA 1.461 0.3 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.433 ' O ' ' HB2' ' A' ' 34' ' ' ASN . . . 54.98 -113.44 3.63 Favored Glycine 0 C--N 1.321 -0.304 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 174.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 11.4 t-20 175.54 -74.3 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.95 0.881 . . . . 0.0 111.124 -176.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.48 -94.27 2.08 Favored Glycine 0 C--N 1.319 -0.37 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -153.32 -52.27 0.1 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.294 1.045 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.7 p90 . . . . . 1 C--O 1.38 7.958 0 CA-C-O 121.935 0.874 . . . . 0.0 111.137 177.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.595 0 CA-C-O 121.763 0.792 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.631 ' O ' ' HD1' ' A' ' 3' ' ' TYR . 1.8 m-85 -112.47 -21.27 11.42 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -177.241 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.631 ' HD1' ' O ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER 21.58 55.12 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 126.019 1.728 . . . . 0.0 113.088 179.045 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.493 ' N ' HG23 ' A' ' 7' ' ' VAL . . . -171.58 -70.83 0.04 OUTLIER Glycine 0 CA--C 1.508 -0.382 0 CA-C-O 121.857 0.698 . . . . 0.0 113.245 174.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.12 -73.02 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.689 0.756 . . . . 0.0 112.061 -173.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.06 -12.51 79.28 Favored Glycine 0 C--O 1.243 0.668 0 N-CA-C 114.444 0.537 . . . . 0.0 114.444 -173.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 4' ' ' GLY . 50.1 t -50.64 -37.2 15.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 O-C-N 121.294 -1.121 . . . . 0.0 111.961 -174.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 48.93 73.81 0.21 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.132 0.968 . . . . 0.0 111.819 175.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.572 ' HB3' ' O ' ' A' ' 13' ' ' GLY . 56.3 m -84.81 93.61 8.52 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.66 174.343 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.0 p -119.31 103.26 9.33 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.213 1.006 . . . . 0.0 112.131 -173.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.583 ' O ' ' HB2' ' A' ' 12' ' ' SER . 0.0 OUTLIER 45.7 54.6 7.58 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.045 0.926 . . . . 0.0 112.37 173.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.583 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 1.4 t 168.3 42.61 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.854 0.835 . . . . 0.0 110.699 -175.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.572 ' O ' ' HB3' ' A' ' 9' ' ' CYS . . . 54.55 -119.57 12.92 Favored Glycine 0 N--CA 1.465 0.612 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 -173.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.1 m -134.06 -74.69 0.48 Allowed 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.089 -0.653 . . . . 0.0 110.537 173.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m 47.41 26.71 0.8 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.682 0.753 . . . . 0.0 111.857 174.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.685 HG13 ' CZ2' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -69.81 138.17 22.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 122.071 0.939 . . . . 0.0 111.132 -174.449 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.96 129.37 37.53 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.959 0.885 . . . . 0.0 111.054 175.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.685 ' CZ2' HG13 ' A' ' 16' ' ' VAL . 33.3 m95 -101.21 -22.74 14.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.326 0.584 . . . . 0.0 111.71 -175.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.2 -50.78 15.67 Favored Glycine 0 N--CA 1.462 0.371 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 174.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -29.87 69.67 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.572 0.701 . . . . 0.0 111.229 177.629 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.3 -21.56 56.08 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.649 -0.657 . . . . 0.0 111.642 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -77.5 -29.79 52.67 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.419 -0.801 . . . . 0.0 110.209 173.362 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.551 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 3.6 m -77.45 -28.23 52.36 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.881 0.848 . . . . 0.0 110.397 172.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.22 -22.82 30.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.239 0.543 . . . . 0.0 111.803 174.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.491 ' O ' ' HB3' ' A' ' 28' ' ' ARG . . . -83.1 -42.9 7.81 Favored Glycine 0 N--CA 1.467 0.712 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 174.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 22' ' ' PHE . 3.5 t -55.33 -40.32 56.45 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.481 0 CA-C-O 122.174 0.987 . . . . 0.0 110.567 172.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.551 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.1 OUTLIER -68.34 -37.35 80.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.048 0.928 . . . . 0.0 110.941 176.091 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.491 ' HB3' ' O ' ' A' ' 25' ' ' GLY . 7.2 tpp85 -54.74 -41.89 70.93 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.96 0.886 . . . . 0.0 110.977 176.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.698 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -78.58 -28.02 45.77 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.615 0.721 . . . . 0.0 111.377 175.789 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.8 29.1 2.79 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.687 -0.633 . . . . 0.0 112.004 178.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -47.33 -30.32 3.1 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.77 0.795 . . . . 0.0 111.337 174.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.86 -36.08 0.37 Allowed Glycine 0 N--CA 1.461 0.358 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.13 -109.51 0.05 OUTLIER Glycine 0 C--N 1.32 -0.32 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -174.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 174.37 91.02 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.653 1.216 . . . . 0.0 111.148 -175.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -118.63 37.04 3.36 Favored Glycine 0 CA--C 1.511 -0.207 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.057 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 1.045 ' HB3' ' CE3' ' A' ' 37' ' ' TRP . 30.2 m-85 -108.98 -50.65 2.98 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.22 1.009 . . . . 0.0 110.969 176.133 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 1.045 ' CE3' ' HB3' ' A' ' 36' ' ' PHE . 0.6 OUTLIER . . . . . 1 C--O 1.381 7.975 0 CA-C-O 122.251 1.024 . . . . 0.0 110.991 -179.408 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.733 ' HB2' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.558 0 CA-C-O 121.583 0.706 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -92.48 -24.55 18.77 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.733 ' CD2' ' HB2' ' A' ' 1' ' ' LYS . 56.8 m-85 26.36 47.9 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 125.318 1.447 . . . . 0.0 112.861 -176.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.35 -120.66 0.92 Allowed Glycine 0 N--CA 1.461 0.317 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 176.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.487 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -143.47 -99.64 0.12 Allowed 'General case' 0 C--O 1.248 0.987 0 O-C-N 122.073 -0.663 . . . . 0.0 110.585 174.591 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.574 ' O ' HG22 ' A' ' 16' ' ' VAL . . . 67.2 2.84 21.15 Favored Glycine 0 N--CA 1.462 0.391 0 O-C-N 121.132 -0.98 . . . . 0.0 114.639 177.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 5' ' ' ASN . 97.0 t -108.2 59.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 122.468 1.127 . . . . 0.0 111.42 -173.097 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -95.58 49.43 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 122.968 1.366 . . . . 0.0 110.404 173.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 65.3 m -52.59 147.67 8.15 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.3 p -116.15 -155.84 0.59 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.368 0.604 . . . . 0.0 110.77 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HG2' ' H ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -95.41 39.19 1.13 Allowed 'General case' 0 C--N 1.32 -0.705 0 O-C-N 121.485 -0.76 . . . . 0.0 111.458 177.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.85 -43.24 0.43 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.1 0.952 . . . . 0.0 110.914 174.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.45 -125.53 0.85 Allowed Glycine 0 N--CA 1.46 0.245 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 174.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.4 m -137.2 -70.78 0.45 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.877 0.846 . . . . 0.0 110.916 174.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.59 83.22 0.06 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.996 0.903 . . . . 0.0 111.057 175.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.722 HG11 ' CH2' ' A' ' 18' ' ' TRP . 15.2 t -80.77 136.51 23.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.983 0.897 . . . . 0.0 111.01 177.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.7 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 2.0 t-20 -96.53 114.09 25.72 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.908 0.861 . . . . 0.0 110.963 174.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.722 ' CH2' HG11 ' A' ' 16' ' ' VAL . 22.9 m95 -89.91 -32.2 16.95 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.896 0.855 . . . . 0.0 111.118 -175.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.47 -37.48 35.65 Favored Glycine 0 C--N 1.32 -0.313 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 174.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.7 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 3.3 mm-40 -72.25 -27.62 62.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.554 0.692 . . . . 0.0 111.296 174.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . -76.72 -26.04 54.21 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 121.575 -0.703 . . . . 0.0 111.265 177.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.442 ' O ' HG23 ' A' ' 26' ' ' VAL . 29.0 t80 -76.92 -30.11 55.98 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.541 -0.725 . . . . 0.0 110.247 173.375 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.586 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 1.5 t -77.99 -27.22 48.99 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.763 0.792 . . . . 0.0 110.464 172.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -83.06 -24.93 32.53 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.307 0.575 . . . . 0.0 111.485 174.314 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.49 -46.02 7.09 Favored Glycine 0 N--CA 1.467 0.738 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 175.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 22' ' ' PHE . 6.6 t -54.97 -36.67 39.17 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 CA-C-O 122.581 1.182 . . . . 0.0 110.456 172.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.586 ' HB2' ' O ' ' A' ' 23' ' ' SER . 47.9 t-80 -69.51 -35.1 75.2 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.09 176.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -49.21 74.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.258 1.028 . . . . 0.0 110.857 175.224 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -31.99 59.46 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.383 178.159 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.23 23.02 6.13 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.593 -0.692 . . . . 0.0 112.36 -174.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -51.15 -36.44 40.96 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.955 0.883 . . . . 0.0 110.887 174.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -88.66 -62.24 1.4 Allowed Glycine 0 C--N 1.319 -0.373 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -176.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.91 65.34 1.83 Allowed Glycine 0 C--N 1.32 -0.338 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 176.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -103.27 32.71 3.63 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.934 0.873 . . . . 0.0 111.111 -177.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.75 83.92 1.58 Allowed Glycine 0 C--N 1.32 -0.358 0 CA-C-O 122.075 0.819 . . . . 0.0 111.059 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -95.43 -41.33 9.04 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.064 0.935 . . . . 0.0 111.034 177.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.8 p90 . . . . . 1 C--O 1.38 7.935 0 CA-C-O 121.967 0.889 . . . . 0.0 110.95 177.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm . . . . . 0 CA--C 1.512 -0.487 0 CA-C-O 122.317 1.056 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -124.55 38.21 4.24 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.334 1.064 . . . . 0.0 110.452 174.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -95.5 23.5 5.96 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.572 0.701 . . . . 0.0 111.771 -173.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.17 52.64 34.92 Favored Glycine 0 N--CA 1.461 0.341 0 O-C-N 121.349 -0.845 . . . . 0.0 111.164 -174.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -135.46 -52.14 0.76 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.898 0.856 . . . . 0.0 111.033 -177.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -111.3 -61.34 0.47 Allowed Glycine 0 C--N 1.319 -0.379 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -174.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.762 HG13 ' SG ' ' A' ' 9' ' ' CYS . 0.9 OUTLIER -55.72 -68.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 122.111 0.958 . . . . 0.0 110.969 -175.172 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.597 ' N ' HG12 ' A' ' 7' ' ' VAL . 0.5 OUTLIER 59.54 60.03 2.4 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.051 0.929 . . . . 0.0 110.973 174.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.762 ' SG ' HG13 ' A' ' 7' ' ' VAL . 48.0 m -102.03 127.56 48.85 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.829 0.823 . . . . 0.0 110.889 174.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.726 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 2.4 m -111.72 64.31 0.62 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.718 0.77 . . . . 0.0 111.188 -174.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.726 ' HG2' ' O ' ' A' ' 10' ' ' THR . 0.0 OUTLIER 44.28 55.5 5.51 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.966 0.889 . . . . 0.0 112.047 174.73 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.531 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 8.4 t 177.59 -56.35 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.037 0.922 . . . . 0.0 111.112 178.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.69 -156.81 7.06 Favored Glycine 0 C--N 1.321 -0.303 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 174.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.538 ' HB3' HG12 ' A' ' 16' ' ' VAL . 61.9 m -142.12 -52.01 0.41 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.155 0.979 . . . . 0.0 110.96 -175.423 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 73.61 14.52 4.24 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.453 175.424 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.538 HG12 ' HB3' ' A' ' 14' ' ' CYS . 0.2 OUTLIER -85.56 93.18 3.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 O-C-N 121.182 -0.949 . . . . 0.0 110.829 174.538 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.986 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 1.5 t-20 -78.19 143.88 36.8 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.884 0.85 . . . . 0.0 110.832 175.133 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 26.8 m95 -83.06 -36.97 24.49 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.926 0.869 . . . . 0.0 110.849 -178.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.69 -45.66 57.69 Favored Glycine 0 N--CA 1.462 0.401 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 174.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.986 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 1.5 mp0 -68.18 -16.56 64.04 Favored 'General case' 0 C--O 1.242 0.665 0 O-C-N 122.256 -0.555 . . . . 0.0 111.74 174.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . -74.74 -27.71 60.47 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.297 -0.877 . . . . 0.0 111.018 174.448 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.459 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.0 t80 -79.08 -27.63 43.02 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.571 0.701 . . . . 0.0 110.107 172.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.788 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -76.48 -26.55 55.45 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.621 0.724 . . . . 0.0 110.215 171.595 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.65 -29.72 27.42 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.621 0.724 . . . . 0.0 111.223 174.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.2 -40.4 34.26 Favored Glycine 0 N--CA 1.468 0.824 0 N-CA-C 108.209 -1.956 . . . . 0.0 108.209 174.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 22' ' ' PHE . 3.1 t -60.25 -40.0 82.41 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-O 122.944 1.354 . . . . 0.0 110.25 171.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.788 ' HB2' ' O ' ' A' ' 23' ' ' SER . 44.2 t-80 -75.25 -16.02 60.49 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.05 -177.272 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.5 tmm_? -83.97 -57.35 3.23 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.32 -0.862 . . . . 0.0 111.302 173.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.633 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -53.92 -39.32 65.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.106 0.955 . . . . 0.0 110.853 174.869 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.12 -33.02 44.66 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.646 0.736 . . . . 0.0 111.416 175.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 50.64 19.71 0.63 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.456 1.122 . . . . 0.0 111.45 -173.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.67 94.77 0.1 Allowed Glycine 0 N--CA 1.461 0.35 0 O-C-N 120.782 -1.199 . . . . 0.0 110.871 -174.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.7 -47.36 58.39 Favored Glycine 0 N--CA 1.46 0.282 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -177.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.4 t30 74.65 37.41 0.54 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.06 0.934 . . . . 0.0 111.869 174.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.549 ' C ' ' HD1' ' A' ' 36' ' ' PHE . . . 138.18 71.01 0.05 OUTLIER Glycine 0 CA--C 1.509 -0.302 0 CA-C-O 121.841 0.689 . . . . 0.0 112.018 174.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.649 ' HB3' ' CE3' ' A' ' 37' ' ' TRP . 2.6 m-85 -134.66 -48.18 0.75 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.068 0.937 . . . . 0.0 111.02 176.174 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.649 ' CE3' ' HB3' ' A' ' 36' ' ' PHE . 0.1 OUTLIER . . . . . 1 C--O 1.381 7.982 0 CA-C-O 121.943 0.878 . . . . 0.0 111.006 -179.249 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.509 -0.6 0 CA-C-O 121.886 0.85 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.575 ' C ' ' HD1' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -121.96 -0.29 9.55 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 174.741 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.591 ' N ' ' HD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 26.06 54.07 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 123.252 1.501 . . . . 0.0 112.684 -179.095 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.78 136.19 1.12 Allowed Glycine 0 CA--C 1.51 -0.227 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.827 174.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -156.07 -66.51 0.11 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.013 0.911 . . . . 0.0 111.007 174.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 157.74 49.9 0.01 OUTLIER Glycine 0 C--N 1.321 -0.298 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.828 HG13 ' CG2' ' A' ' 16' ' ' VAL . 2.6 t -144.49 59.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 122.005 0.907 . . . . 0.0 110.971 175.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.46 ' O ' ' CG ' ' A' ' 8' ' ' HIS . 1.1 p-80 -150.92 77.89 1.28 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 124.138 1.923 . . . . 0.0 110.359 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -44.4 101.3 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 114.635 -1.166 . . . . 0.0 111.64 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 1.023 HG22 ' HG2' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -124.72 -44.95 1.93 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.805 0.812 . . . . 0.0 111.201 -174.566 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 1.023 ' HG2' HG22 ' A' ' 10' ' ' THR . 9.0 mmmt -96.95 -100.65 0.18 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.913 0.863 . . . . 0.0 110.074 -174.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.6 m -127.54 46.78 2.48 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.018 0.913 . . . . 0.0 111.006 -178.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.79 159.62 8.02 Favored Glycine 0 C--N 1.32 -0.334 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 m -80.01 -53.7 6.48 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.253 1.025 . . . . 0.0 110.931 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 82.27 28.93 0.13 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.13 0.967 . . . . 0.0 110.985 176.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.828 ' CG2' HG13 ' A' ' 7' ' ' VAL . 1.7 t -70.85 147.95 10.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.91 0.862 . . . . 0.0 110.904 -177.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.83 ' CG ' ' HB2' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -78.26 112.09 14.89 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.951 0.881 . . . . 0.0 110.941 -177.545 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -88.32 -26.83 22.05 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.624 0.726 . . . . 0.0 111.359 -174.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.0 -31.94 41.53 Favored Glycine 0 N--CA 1.461 0.338 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 174.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.83 ' HB2' ' CG ' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -74.19 -31.98 62.88 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.833 0.825 . . . . 0.0 111.125 176.35 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . . . -78.37 -21.8 48.87 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.29 0.567 . . . . 0.0 111.493 175.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.457 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -76.82 -30.74 56.5 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.448 -0.783 . . . . 0.0 110.253 173.292 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.472 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 25.2 t -78.24 -27.42 47.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.806 0.813 . . . . 0.0 110.391 173.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -84.56 -21.81 30.31 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.159 0.504 . . . . 0.0 111.768 174.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.89 -44.72 6.64 Favored Glycine 0 N--CA 1.466 0.679 0 N-CA-C 109.13 -1.588 . . . . 0.0 109.13 174.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 22' ' ' PHE . 5.5 t -55.02 -38.55 46.29 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.47 0 CA-C-O 122.206 1.003 . . . . 0.0 110.523 172.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 23' ' ' SER . 7.1 t-160 -68.63 -38.1 80.26 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.002 0.905 . . . . 0.0 110.909 175.296 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.424 ' HB3' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -54.65 -50.29 68.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.994 0.902 . . . . 0.0 111.039 178.109 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.591 ' N ' HD23 ' A' ' 29' ' ' LEU . 1.3 mt -71.79 -29.59 64.62 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.44 0.638 . . . . 0.0 111.442 -179.368 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.94 19.6 3.5 Favored 'General case' 0 C--O 1.243 0.763 0 O-C-N 121.518 -0.739 . . . . 0.0 112.696 -174.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -58.22 -36.19 72.8 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.209 -0.932 . . . . 0.0 110.859 174.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.76 49.89 0.74 Allowed Glycine 0 C--N 1.319 -0.366 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.38 -42.73 0.87 Allowed Glycine 0 C--N 1.32 -0.332 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 61.31 30.8 19.28 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.83 0.824 . . . . 0.0 111.287 -175.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -89.14 -50.94 3.1 Favored Glycine 0 C--N 1.319 -0.387 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -115.66 5.67 14.34 Favored 'General case' 0 C--O 1.244 0.808 0 O-C-N 121.911 -0.758 . . . . 0.0 112.743 177.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 . . . . . 1 C--O 1.38 7.942 0 CA-C-O 122.019 0.914 . . . . 0.0 111.482 -174.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.615 ' C ' ' HD1' ' A' ' 2' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.557 0 CA-C-O 121.944 0.878 . . . . 0.0 111.096 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.615 ' HD1' ' C ' ' A' ' 1' ' ' LYS . 0.3 OUTLIER 176.03 75.35 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.056 0.932 . . . . 0.0 111.104 -177.527 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.614 ' HA ' HG21 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -95.02 18.52 11.92 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 123.556 0.742 . . . . 0.0 111.451 -174.451 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.75 -137.14 0.19 Allowed Glycine 0 CA--C 1.508 -0.391 0 CA-C-O 123.135 1.408 . . . . 0.0 113.118 -172.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -67.63 123.47 20.55 Favored 'General case' 0 CA--C 1.51 -0.591 0 O-C-N 121.45 -1.029 . . . . 0.0 110.973 -174.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 88.74 39.82 6.49 Favored Glycine 0 C--N 1.32 -0.314 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 178.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.614 HG21 ' HA ' ' A' ' 3' ' ' TYR . 3.5 t -127.61 -48.39 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.955 0.883 . . . . 0.0 110.978 174.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.5 t60 61.14 66.99 0.83 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.008 0.908 . . . . 0.0 110.967 -177.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.49 ' HB2' ' HB3' ' A' ' 14' ' ' CYS . 42.7 t -80.95 95.59 6.81 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.002 0.906 . . . . 0.0 110.989 176.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.658 HG23 ' N ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -101.65 -159.42 0.73 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.347 0.594 . . . . 0.0 110.704 -174.909 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.658 ' N ' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER -96.45 37.11 1.29 Allowed 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.413 -0.804 . . . . 0.0 111.358 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 m -134.44 -42.9 0.77 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.107 0.956 . . . . 0.0 110.795 174.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.77 147.87 5.77 Favored Glycine 0 N--CA 1.461 0.308 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 174.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.49 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -111.47 -144.97 0.39 Allowed 'General case' 0 C--N 1.318 -0.77 0 O-C-N 121.875 -0.78 . . . . 0.0 109.927 -179.051 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.4 p 43.66 60.88 2.47 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.784 0.802 . . . . 0.0 111.419 -174.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.615 HG11 ' CH2' ' A' ' 18' ' ' TRP . 16.8 t -106.08 117.16 51.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.947 0.88 . . . . 0.0 111.601 -174.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -94.63 117.97 30.96 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.57 0.7 . . . . 0.0 110.58 173.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.615 ' CH2' HG11 ' A' ' 16' ' ' VAL . 49.6 m95 -88.32 -33.47 17.98 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.639 0.733 . . . . 0.0 111.591 -174.325 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.69 -43.85 73.71 Favored Glycine 0 N--CA 1.462 0.373 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 174.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.16 -25.29 59.64 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 122.176 -0.602 . . . . 0.0 111.526 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.496 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . . . -81.59 -18.86 43.33 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.527 -0.733 . . . . 0.0 111.753 177.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.451 ' O ' HG23 ' A' ' 26' ' ' VAL . 37.6 t80 -80.59 -32.12 36.57 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.389 -0.82 . . . . 0.0 109.877 172.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 28.7 t -78.68 -30.17 45.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.816 0.817 . . . . 0.0 110.385 172.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.496 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -84.81 -19.21 32.86 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.003 174.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.35 -44.65 6.13 Favored Glycine 0 N--CA 1.466 0.644 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 174.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 22' ' ' PHE . 6.8 t -56.17 -38.15 52.82 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.539 0 CA-C-O 121.933 0.873 . . . . 0.0 110.68 172.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 23' ' ' SER . 1.4 m170 -75.8 -34.4 60.18 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.955 0.883 . . . . 0.0 111.038 177.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.68 ' HB3' HD23 ' A' ' 29' ' ' LEU . 1.5 ttt180 -57.08 -46.45 82.52 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.989 0.899 . . . . 0.0 110.992 177.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.981 HD12 ' CD2' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -80.02 -35.09 37.81 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.9 0.857 . . . . 0.0 111.07 -175.213 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.5 -46.71 57.26 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.951 0.881 . . . . 0.0 111.109 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -60.69 -48.44 81.78 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 122.019 0.914 . . . . 0.0 110.954 -176.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -123.87 -84.17 0.62 Allowed Glycine 0 C--N 1.321 -0.302 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 177.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 144.91 156.4 6.81 Favored Glycine 0 C--N 1.32 -0.354 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -145.24 -82.98 0.14 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.991 0.9 . . . . 0.0 111.024 -176.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.2 60.91 0.42 Allowed Glycine 0 C--N 1.32 -0.329 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -176.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.981 ' CD2' HD12 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -103.73 -36.55 7.82 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.016 0.913 . . . . 0.0 111.028 176.529 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.714 ' CE3' ' HB3' ' A' ' 36' ' ' PHE . 1.4 p90 . . . . . 1 C--O 1.38 7.948 0 CA-C-O 121.979 0.895 . . . . 0.0 111.136 179.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.887 ' HD2' HG11 ' A' ' 7' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.578 0 CA-C-O 121.815 0.817 . . . . 0.0 110.851 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -163.42 28.68 0.09 Allowed 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.448 0.642 . . . . 0.0 112.09 -174.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 1.001 ' CE1' HG13 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -93.47 -15.51 25.49 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 177.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.39 68.56 0.87 Allowed Glycine 0 C--N 1.318 -0.441 0 N-CA-C 111.662 -0.575 . . . . 0.0 111.662 -173.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -159.22 34.21 0.2 Allowed 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.642 -0.916 . . . . 0.0 111.88 -175.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.76 64.22 1.38 Allowed Glycine 0 C--N 1.32 -0.336 0 CA-C-O 122.058 0.81 . . . . 0.0 111.54 174.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.001 HG13 ' CE1' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -73.45 -2.75 3.67 Favored 'Isoleucine or valine' 0 C--O 1.246 0.89 0 O-C-N 121.978 -0.719 . . . . 0.0 112.678 -178.825 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.1 t60 66.01 87.54 0.12 Allowed 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.117 -0.989 . . . . 0.0 110.771 174.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.2 m -117.74 154.99 30.77 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.012 0.91 . . . . 0.0 110.994 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.5 p -128.57 -162.52 1.2 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.004 0.907 . . . . 0.0 110.978 175.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -97.7 41.59 1.12 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.911 0.863 . . . . 0.0 111.09 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -165.26 -51.11 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.992 0.901 . . . . 0.0 111.031 174.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -164.29 148.3 14.27 Favored Glycine 0 C--N 1.32 -0.348 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.7 m -89.93 -69.56 0.71 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.943 0.878 . . . . 0.0 110.979 -174.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.1 t 67.74 100.68 0.05 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.961 0.886 . . . . 0.0 111.011 174.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.718 HG21 ' OH ' ' A' ' 3' ' ' TYR . 2.8 t -91.37 112.75 25.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.86 0.838 . . . . 0.0 111.121 -174.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.804 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -72.36 152.04 42.31 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.925 0.869 . . . . 0.0 111.025 174.657 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -110.62 -43.56 3.82 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.751 0.786 . . . . 0.0 111.015 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.32 -44.78 63.77 Favored Glycine 0 N--CA 1.463 0.434 0 CA-C-O 122.549 1.083 . . . . 0.0 110.466 174.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.804 ' HB2' ' HB2' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -66.33 -25.85 67.02 Favored 'General case' 0 CA--C 1.509 -0.599 0 O-C-N 122.03 -0.688 . . . . 0.0 111.037 174.317 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . -70.83 -26.18 63.17 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 121.586 -0.696 . . . . 0.0 111.145 174.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 26' ' ' VAL . 40.4 t80 -76.09 -28.61 57.63 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.652 0.739 . . . . 0.0 110.251 173.207 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.459 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 63.9 m -77.27 -28.58 53.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.875 0.845 . . . . 0.0 110.4 172.435 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.97 -22.89 33.59 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.255 0.55 . . . . 0.0 111.819 174.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.63 -43.86 7.12 Favored Glycine 0 N--CA 1.465 0.62 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 174.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 22' ' ' PHE . 4.1 t -55.06 -35.32 34.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 122.154 0.978 . . . . 0.0 110.55 172.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.459 ' HB2' ' O ' ' A' ' 23' ' ' SER . 7.0 t-80 -72.78 -39.02 67.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.025 0.917 . . . . 0.0 110.969 174.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.41 -37.95 51.06 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.078 0.942 . . . . 0.0 111.03 177.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.547 ' N ' HD23 ' A' ' 29' ' ' LEU . 1.2 mt -81.84 -29.37 32.6 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.724 0.773 . . . . 0.0 111.233 177.207 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.59 21.64 3.89 Favored 'General case' 0 C--O 1.242 0.698 0 O-C-N 121.733 -0.604 . . . . 0.0 112.373 177.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -50.93 -33.14 23.08 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.97 0.891 . . . . 0.0 110.95 174.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.69 -75.55 1.27 Allowed Glycine 0 C--N 1.32 -0.324 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 177.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.04 -93.51 0.39 Allowed Glycine 0 C--N 1.32 -0.311 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 177.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.406 ' HB2' ' H ' ' A' ' 35' ' ' GLY . 0.7 OUTLIER -108.69 -79.45 0.58 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.03 0.919 . . . . 0.0 110.951 177.489 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.406 ' H ' ' HB2' ' A' ' 34' ' ' ASN . . . 67.42 56.98 9.86 Favored Glycine 0 C--N 1.319 -0.382 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 176.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -118.57 -57.47 2.05 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.455 1.122 . . . . 0.0 110.974 174.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 1 C--O 1.38 7.955 0 CA-C-O 122.009 0.909 . . . . 0.0 111.103 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.755 ' CB ' HG11 ' A' ' 7' ' ' VAL . 2.2 pttt . . . . . 0 CA--C 1.51 -0.585 0 CA-C-O 121.843 0.83 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.566 ' O ' ' HD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -144.63 18.07 1.66 Allowed 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.705 -0.622 . . . . 0.0 112.519 174.408 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.566 ' HD1' ' O ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER 22.46 54.8 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 123.95 1.833 . . . . 0.0 112.512 -176.862 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.31 -50.33 0.09 OUTLIER Glycine 0 CA--C 1.511 -0.206 0 CA-C-N 114.744 -1.116 . . . . 0.0 111.6 174.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -87.51 -36.67 17.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.011 0.91 . . . . 0.0 110.98 -177.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.37 101.86 0.68 Allowed Glycine 0 C--N 1.319 -0.403 0 CA-C-O 122.982 1.323 . . . . 0.0 110.475 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.755 HG11 ' CB ' ' A' ' 1' ' ' LYS . 2.6 t -138.06 -71.01 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-O 121.99 0.9 . . . . 0.0 110.975 -178.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.5 t60 54.74 71.2 0.55 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.994 0.902 . . . . 0.0 111.056 174.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.3 m -86.96 118.82 26.59 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.98 0.895 . . . . 0.0 111.034 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 t -159.75 155.69 26.35 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.037 0.922 . . . . 0.0 110.993 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.15 78.88 0.21 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.054 0.93 . . . . 0.0 110.988 175.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.8 m 68.92 65.16 0.29 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.06 0.933 . . . . 0.0 110.971 175.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.86 -155.9 46.98 Favored Glycine 0 C--N 1.321 -0.298 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 175.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.4 m -97.49 -75.51 0.54 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.805 0.812 . . . . 0.0 110.924 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.0 p 46.42 51.67 11.46 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.944 0.878 . . . . 0.0 111.305 -174.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 17' ' ' ASN . 0.4 OUTLIER -96.04 147.75 5.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 122.073 0.939 . . . . 0.0 111.292 -174.819 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.468 ' O ' HG22 ' A' ' 16' ' ' VAL . 1.3 t-20 -96.15 -159.95 0.76 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.499 0.666 . . . . 0.0 110.719 174.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -145.27 -42.79 0.22 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.621 0.724 . . . . 0.0 111.559 -177.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.69 -37.25 52.23 Favored Glycine 0 N--CA 1.462 0.378 0 N-CA-C 110.551 -1.02 . . . . 0.0 110.551 174.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -73.18 -25.93 60.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.296 0.569 . . . . 0.0 111.359 174.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.482 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . . . -82.24 -17.21 46.84 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 121.568 -0.707 . . . . 0.0 112.019 176.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -84.9 -26.68 27.13 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.304 -0.873 . . . . 0.0 110.134 172.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 t -83.94 -26.31 29.39 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.749 0.785 . . . . 0.0 110.233 171.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.616 ' O ' ' HB2' ' A' ' 28' ' ' ARG . . . -86.58 -27.39 23.93 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.601 0.715 . . . . 0.0 111.228 174.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.16 -41.48 39.03 Favored Glycine 0 N--CA 1.467 0.745 0 N-CA-C 108.36 -1.896 . . . . 0.0 108.36 173.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.557 HG12 ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -47.43 -63.31 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 CA-C-O 123.476 1.608 . . . . 0.0 110.659 172.046 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.689 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -68.52 -27.65 66.3 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.053 -174.543 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.616 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 18.0 ttt180 -57.8 -37.69 74.21 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.055 0.931 . . . . 0.0 110.684 174.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.684 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -80.47 -41.49 24.29 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.317 1.056 . . . . 0.0 110.878 174.513 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.689 ' HB3' ' HA ' ' A' ' 27' ' ' HIS . . . -60.16 -18.23 46.35 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.396 -174.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -53.79 -42.77 68.68 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 121.263 -0.898 . . . . 0.0 111.333 -174.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.65 50.84 0.44 Allowed Glycine 0 C--N 1.32 -0.34 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 175.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.84 -67.14 0.87 Allowed Glycine 0 C--N 1.32 -0.339 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -175.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 61.1 32.02 19.7 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.935 0.874 . . . . 0.0 111.137 -175.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -94.24 -56.54 1.36 Allowed Glycine 0 C--N 1.32 -0.328 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -175.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.862 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 0.7 OUTLIER -83.6 -42.03 17.19 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.975 0.893 . . . . 0.0 110.963 179.196 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.862 ' CE3' ' HB2' ' A' ' 36' ' ' PHE . 5.3 p90 . . . . . 1 C--O 1.38 7.941 0 CA-C-O 121.973 0.892 . . . . 0.0 111.008 -176.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.3 mttm . . . . . 0 CA--C 1.511 -0.551 0 CA-C-O 121.945 0.879 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.18 34.34 0.58 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.801 0.81 . . . . 0.0 111.103 176.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.563 ' N ' ' HD1' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -101.28 39.37 1.42 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.727 0.775 . . . . 0.0 110.921 178.188 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.5 144.48 3.98 Favored Glycine 0 C--N 1.318 -0.418 0 N-CA-C 110.287 -1.125 . . . . 0.0 110.287 -174.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -53.31 -176.05 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 123.725 1.726 . . . . 0.0 111.442 174.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 121.74 4.14 9.77 Favored Glycine 0 C--N 1.319 -0.362 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.924 -172.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 8' ' ' HIS . 2.5 t -87.46 -69.15 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 122.142 0.972 . . . . 0.0 109.926 173.03 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.4 ' N ' HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER 52.05 82.86 0.06 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.786 1.279 . . . . 0.0 111.425 173.006 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -88.78 73.9 8.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 122.078 0.942 . . . . 0.0 110.848 174.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.2 p -83.44 -159.7 0.38 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.87 0.843 . . . . 0.0 110.981 -176.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -99.83 43.43 1.06 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.043 0.925 . . . . 0.0 111.021 174.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.7 t -140.34 -49.95 0.46 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.952 0.882 . . . . 0.0 111.004 174.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.55 142.48 5.94 Favored Glycine 0 C--N 1.321 -0.299 0 CA-C-O 122.029 0.794 . . . . 0.0 111.174 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 15' ' ' SER . 62.7 m -80.82 -63.02 1.5 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.093 0.949 . . . . 0.0 110.944 174.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.452 ' HB2' ' O ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER 70.19 73.02 0.22 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.953 0.883 . . . . 0.0 110.957 -174.802 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.9 t -145.65 160.13 12.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.991 0.9 . . . . 0.0 111.103 -174.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.654 ' CG ' ' HB3' ' A' ' 20' ' ' GLU . 9.6 t-20 -99.19 112.93 24.97 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.938 0.875 . . . . 0.0 110.985 174.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -94.05 -28.39 15.76 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.721 0.772 . . . . 0.0 111.359 -174.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.03 -34.96 40.27 Favored Glycine 0 N--CA 1.461 0.356 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.654 ' HB3' ' CG ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -67.35 -34.56 77.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.922 0.867 . . . . 0.0 111.005 174.879 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.66 -21.97 59.14 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.24 0.543 . . . . 0.0 111.456 177.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.456 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -75.41 -30.99 60.24 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 121.436 -0.79 . . . . 0.0 110.171 172.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -73.94 -31.49 63.07 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 122.058 0.932 . . . . 0.0 110.423 172.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.72 -24.11 31.35 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.744 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.73 -43.06 8.57 Favored Glycine 0 N--CA 1.465 0.609 0 N-CA-C 109.184 -1.567 . . . . 0.0 109.184 174.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.819 HG13 ' CE2' ' A' ' 36' ' ' PHE . 2.8 t -52.37 -41.75 36.06 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-O 121.967 0.889 . . . . 0.0 110.575 172.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -70.06 -34.85 73.73 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.963 0.887 . . . . 0.0 111.058 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -53.9 -40.67 66.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.949 0.88 . . . . 0.0 110.96 175.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.605 ' N ' HD23 ' A' ' 29' ' ' LEU . 1.2 mt -75.57 -40.16 57.08 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.96 0.886 . . . . 0.0 111.051 178.489 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.8 -86.45 0.1 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.012 0.91 . . . . 0.0 110.992 -174.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t30 50.73 18.51 0.5 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.972 0.891 . . . . 0.0 111.84 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.92 -45.59 72.58 Favored Glycine 0 N--CA 1.462 0.378 0 O-C-N 120.935 -1.103 . . . . 0.0 110.991 -174.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.44 -35.45 1.43 Allowed Glycine 0 C--N 1.32 -0.344 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 178.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -102.57 -80.93 0.5 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.981 0.896 . . . . 0.0 111.01 -174.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -128.29 -70.82 0.15 Allowed Glycine 0 C--N 1.32 -0.319 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -176.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.819 ' CE2' HG13 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -151.96 -49.52 0.11 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.237 1.018 . . . . 0.0 110.906 -175.799 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.7 p90 . . . . . 1 C--O 1.38 7.961 0 CA-C-O 122.002 0.906 . . . . 0.0 111.025 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.518 ' NZ ' ' HB2' ' A' ' 1' ' ' LYS . 0.4 OUTLIER . . . . . 0 CA--C 1.511 -0.542 0 CA-C-O 122.1 0.952 . . . . 0.0 110.998 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -160.48 45.26 0.21 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.7 0.762 . . . . 0.0 110.989 179.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -63.93 -16.32 61.19 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -177.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.528 ' O ' ' HB3' ' A' ' 5' ' ' ASN . . . 34.01 40.63 0.16 Allowed Glycine 0 C--N 1.318 -0.46 0 C-N-CA 124.037 0.827 . . . . 0.0 114.481 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.528 ' HB3' ' O ' ' A' ' 4' ' ' GLY . 44.9 t30 71.77 -84.2 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 O-C-N 122.2 -0.588 . . . . 0.0 110.621 -174.134 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.31 -76.34 0.67 Allowed Glycine 0 N--CA 1.462 0.433 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 174.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.005 HG21 HG11 ' A' ' 16' ' ' VAL . 8.4 p -141.04 -60.59 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 122.357 1.075 . . . . 0.0 111.314 -174.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.548 ' CE1' ' CG2' ' A' ' 10' ' ' THR . 1.8 t60 137.9 77.11 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 127.924 2.489 . . . . 0.0 108.673 -171.199 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.452 ' HB2' ' HB3' ' A' ' 14' ' ' CYS . 16.3 t -59.13 95.02 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.996 0.903 . . . . 0.0 111.709 -173.306 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.548 ' CG2' ' CE1' ' A' ' 8' ' ' HIS . 1.4 t -173.55 29.73 0.01 OUTLIER 'General case' 0 C--O 1.242 0.68 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.553 174.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.576 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 10.4 ptmt -148.83 33.16 0.76 Allowed 'General case' 0 C--N 1.32 -0.714 0 O-C-N 121.292 -0.88 . . . . 0.0 111.821 -174.169 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.526 ' HB3' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER 89.29 -27.4 0.05 Allowed 'General case' 0 C--O 1.243 0.734 0 C-N-CA 124.097 0.959 . . . . 0.0 111.688 174.608 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -130.6 122.07 3.47 Favored Glycine 0 C--N 1.318 -0.433 0 O-C-N 121.26 -0.9 . . . . 0.0 110.899 174.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.642 ' O ' HG12 ' A' ' 7' ' ' VAL . 59.7 m -92.61 -56.97 2.82 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.823 1.297 . . . . 0.0 110.994 -177.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.29 56.21 3.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.949 1.357 . . . . 0.0 110.777 172.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.005 HG11 HG21 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -56.13 135.5 19.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 122.903 1.335 . . . . 0.0 112.623 -174.686 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.419 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -97.33 -148.07 0.32 Allowed 'General case' 0 C--O 1.244 0.814 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.705 172.241 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -141.13 -41.77 0.38 Allowed 'General case' 0 C--N 1.317 -0.808 0 O-C-N 121.503 -0.748 . . . . 0.0 111.069 174.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.57 -40.84 26.3 Favored Glycine 0 N--CA 1.462 0.413 0 CA-C-O 123.014 1.341 . . . . 0.0 109.963 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -74.16 -24.25 59.37 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 122.063 -0.669 . . . . 0.0 111.401 174.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . . . -77.33 -25.26 50.96 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.49 -0.756 . . . . 0.0 111.339 176.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.472 ' O ' HG23 ' A' ' 26' ' ' VAL . 63.3 t80 -78.11 -30.45 49.47 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.555 -0.715 . . . . 0.0 110.096 173.164 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 24.6 t -77.01 -27.67 54.72 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.865 0.84 . . . . 0.0 110.466 172.35 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.426 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -84.07 -24.15 30.52 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.233 0.54 . . . . 0.0 111.74 174.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.33 -42.77 8.37 Favored Glycine 0 N--CA 1.466 0.639 0 N-CA-C 109.229 -1.549 . . . . 0.0 109.229 174.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 22' ' ' PHE . 3.3 t -54.99 -40.08 52.29 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.466 0 CA-C-O 122.106 0.955 . . . . 0.0 110.582 172.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.493 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.1 OUTLIER -66.84 -42.24 86.09 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.986 0.898 . . . . 0.0 110.95 175.107 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -55.02 -35.58 64.57 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.992 0.901 . . . . 0.0 110.966 -176.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.578 ' N ' HD23 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -84.72 -36.39 21.85 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.881 0.848 . . . . 0.0 111.077 176.766 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.79 -86.09 0.11 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.047 0.927 . . . . 0.0 111.022 -174.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 t30 51.74 17.47 0.61 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.78 0.8 . . . . 0.0 111.99 -174.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -130.19 -52.02 0.1 Allowed Glycine 0 N--CA 1.463 0.455 0 O-C-N 120.963 -1.085 . . . . 0.0 110.964 -174.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.23 -55.0 30.52 Favored Glycine 0 N--CA 1.461 0.318 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -176.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 62.63 30.56 16.97 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.683 0.754 . . . . 0.0 111.444 -176.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.04 90.12 0.07 OUTLIER Glycine 0 C--N 1.319 -0.39 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -86.38 -53.06 5.22 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.322 1.058 . . . . 0.0 110.915 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 1 C--O 1.38 7.931 0 CA-C-O 122.032 0.92 . . . . 0.0 110.995 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 CA--C 1.51 -0.56 0 CA-C-O 121.464 0.649 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.11 -3.95 78.35 Favored Glycine 0 N--CA 1.459 0.227 0 O-C-N 121.359 -0.838 . . . . 0.0 112.618 -172.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.004 HG22 HG12 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -43.53 -35.17 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 C-N-CA 124.143 0.977 . . . . 0.0 113.324 -174.388 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.9 t60 59.02 77.74 0.29 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.94 0.876 . . . . 0.0 110.731 -173.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.74 117.49 2.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.905 0.86 . . . . 0.0 110.914 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 77.2 p -100.64 39.46 1.37 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.936 0.874 . . . . 0.0 111.037 -175.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 12' ' ' SER . 2.2 ttmt 53.52 40.55 31.55 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.975 0.893 . . . . 0.0 111.02 176.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.47 ' HB3' ' O ' ' A' ' 11' ' ' LYS . 93.6 p 174.63 42.97 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.026 0.917 . . . . 0.0 111.082 -175.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.34 129.34 4.04 Favored Glycine 0 C--N 1.32 -0.347 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.651 ' O ' HG12 ' A' ' 16' ' ' VAL . 0.5 OUTLIER -93.0 -83.94 0.3 Allowed 'General case' 0 C--N 1.32 -0.697 0 O-C-N 122.028 -0.689 . . . . 0.0 111.194 177.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.728 ' HA ' HG21 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -33.97 -43.17 0.14 Allowed 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 124.635 1.174 . . . . 0.0 113.478 -173.357 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.004 HG12 HG22 ' A' ' 7' ' ' VAL . 5.9 p 47.76 70.41 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.379 0.609 . . . . 0.0 112.636 173.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.931 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 1.8 t30 -79.53 140.55 37.2 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.406 -0.809 . . . . 0.0 109.29 172.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -80.94 -35.65 31.99 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.648 0.737 . . . . 0.0 111.361 -173.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.04 -38.86 39.25 Favored Glycine 0 N--CA 1.462 0.394 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 174.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.931 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -74.11 -13.32 60.81 Favored 'General case' 0 C--O 1.243 0.744 0 O-C-N 122.115 -0.638 . . . . 0.0 112.166 174.618 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.458 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . . . -82.76 -22.29 34.39 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.287 -0.883 . . . . 0.0 111.084 174.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -82.57 -28.81 30.69 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.526 -0.734 . . . . 0.0 109.993 171.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -79.05 -27.54 43.12 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.846 0.831 . . . . 0.0 110.236 171.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -84.95 -26.34 27.26 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.619 0.723 . . . . 0.0 110.958 173.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.33 -41.49 30.69 Favored Glycine 0 N--CA 1.467 0.704 0 N-CA-C 108.405 -1.878 . . . . 0.0 108.405 173.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.557 HG12 ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -48.51 -64.12 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 CA-C-O 123.331 1.539 . . . . 0.0 110.654 171.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.557 ' N ' HG12 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -67.87 -26.82 66.21 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.042 -174.606 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -42.23 75.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.109 0.957 . . . . 0.0 110.846 174.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.696 HD23 ' N ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.321 -0.66 0 CA-C-O 122.006 0.908 . . . . 0.0 110.934 174.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 t30 . . . . . 0 CA--C 1.51 -0.57 0 CA-C-O 121.997 0.903 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.16 -25.19 73.47 Favored Glycine 0 C--O 1.241 0.56 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.607 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.523 ' HA ' HG21 ' A' ' 16' ' ' VAL . 38.2 t -52.75 -43.62 45.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 121.53 -0.983 . . . . 0.0 111.391 -175.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 60.36 65.24 1.09 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.986 0.898 . . . . 0.0 110.983 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.6 t -101.71 89.41 3.68 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.794 0.807 . . . . 0.0 110.949 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.7 p -145.1 44.11 1.33 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.681 0.753 . . . . 0.0 111.49 -174.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.716 ' O ' ' HB3' ' A' ' 12' ' ' SER . 0.0 OUTLIER -143.36 29.06 1.45 Allowed 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.603 -0.685 . . . . 0.0 111.778 174.558 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.716 ' HB3' ' O ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER 88.11 -38.86 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 124.62 1.168 . . . . 0.0 110.946 -174.522 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.84 160.54 24.9 Favored Glycine 0 N--CA 1.464 0.514 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 174.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 15' ' ' SER . 4.0 m -82.47 -135.72 0.04 OUTLIER 'General case' 0 C--O 1.246 0.883 0 O-C-N 121.73 -0.865 . . . . 0.0 110.093 -174.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.473 ' HB2' ' O ' ' A' ' 14' ' ' CYS . 7.6 t 177.49 -36.67 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.786 0 O-C-N 121.1 -1.0 . . . . 0.0 111.342 -174.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.523 HG21 ' HA ' ' A' ' 7' ' ' VAL . 67.5 t -58.06 98.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.854 0.835 . . . . 0.0 111.18 -174.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.882 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 8.1 t-20 -74.36 146.2 43.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.65 0.738 . . . . 0.0 110.61 174.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.7 m95 -98.28 -28.89 13.48 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.716 0.769 . . . . 0.0 111.341 -174.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.68 -43.23 12.15 Favored Glycine 0 N--CA 1.462 0.382 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 174.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.882 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 2.3 mm-40 -67.98 -21.86 65.04 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 122.125 -0.632 . . . . 0.0 111.573 174.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . -78.25 -22.46 48.34 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.453 -0.779 . . . . 0.0 111.764 176.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -79.73 -31.13 41.09 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.412 -0.805 . . . . 0.0 110.063 173.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.594 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 1.5 t -78.16 -27.05 48.01 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.702 0.763 . . . . 0.0 110.403 172.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -85.55 -23.07 27.82 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.312 0.577 . . . . 0.0 111.626 174.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.5 -45.17 7.5 Favored Glycine 0 N--CA 1.466 0.689 0 N-CA-C 109.049 -1.62 . . . . 0.0 109.049 174.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 t -54.89 -40.18 51.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 122.906 1.336 . . . . 0.0 110.176 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.594 ' HB2' ' O ' ' A' ' 23' ' ' SER . 6.5 t-80 -61.49 -40.6 95.16 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.99 174.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.12 -51.26 66.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.07 0.938 . . . . 0.0 110.945 177.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.61 0 CA-C-O 121.56 0.695 . . . . 0.0 110.997 174.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.511 -0.53 0 CA-C-O 121.729 0.776 . . . . 0.0 111.444 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.53 -13.49 58.65 Favored Glycine 0 C--O 1.242 0.62 0 O-C-N 121.752 -0.592 . . . . 0.0 113.931 -175.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 7' ' ' VAL . 48.7 t -98.36 52.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 O-C-N 121.21 -1.17 . . . . 0.0 110.957 -174.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -94.38 54.52 1.85 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.682 1.23 . . . . 0.0 110.67 174.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 64.2 m -44.65 103.6 0.04 OUTLIER 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.734 174.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 p -73.87 -96.75 0.01 OUTLIER 'General case' 0 C--O 1.242 0.705 0 O-C-N 121.684 -0.635 . . . . 0.0 111.509 -173.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.54 25.16 1.86 Allowed 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.275 -0.89 . . . . 0.0 111.679 -174.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.4 t -157.74 32.37 0.26 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.176 0.989 . . . . 0.0 110.66 -174.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.71 -148.74 18.93 Favored Glycine 0 C--N 1.321 -0.293 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -174.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.9 m -129.17 -71.55 0.62 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.008 0.909 . . . . 0.0 110.984 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.51 43.56 30.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.048 0.928 . . . . 0.0 110.996 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.75 115.56 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 122.037 0.922 . . . . 0.0 110.964 -174.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.768 ' HB3' ' HB3' ' A' ' 20' ' ' GLU . 57.1 t-20 -96.29 139.14 32.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.958 0.885 . . . . 0.0 110.974 176.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 40.9 m95 -87.99 -41.09 13.37 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.84 0.828 . . . . 0.0 111.178 -174.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.44 -41.87 83.65 Favored Glycine 0 C--N 1.32 -0.359 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 174.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.768 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . 2.0 tp10 -64.27 -31.73 73.04 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.968 0.89 . . . . 0.0 111.004 174.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . -73.34 -21.46 60.54 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.225 0.536 . . . . 0.0 111.625 178.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.432 ' O ' HG23 ' A' ' 26' ' ' VAL . 48.3 t80 -79.15 -30.48 43.62 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 121.451 -0.781 . . . . 0.0 110.107 173.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.816 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 4.2 t -77.34 -27.17 52.64 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.649 0.738 . . . . 0.0 110.349 172.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.433 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -84.88 -24.19 28.61 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.329 0.585 . . . . 0.0 111.471 174.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.411 ' HA2' ' HB2' ' A' ' 28' ' ' ARG . . . -82.31 -42.02 8.88 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 176.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 22' ' ' PHE . 8.2 t -60.06 -38.09 75.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 122.988 1.375 . . . . 0.0 110.352 171.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.816 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.6 OUTLIER -77.13 -17.03 58.93 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.891 174.846 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.411 ' HB2' ' HA2' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -77.8 -45.61 23.99 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.199 -0.938 . . . . 0.0 110.98 173.357 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.56 HD23 ' N ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.32 -0.688 0 CA-C-O 121.927 0.87 . . . . 0.0 110.997 177.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m120 . . . . . 0 CA--C 1.51 -0.589 0 CA-C-O 121.433 0.635 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.75 34.91 0.3 Allowed Glycine 0 N--CA 1.461 0.365 0 O-C-N 121.429 -0.794 . . . . 0.0 111.311 -174.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.45 HG12 ' HB3' ' A' ' 14' ' ' CYS . 2.6 t -57.96 -22.2 18.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 O-C-N 121.881 -0.776 . . . . 0.0 111.465 174.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.3 t60 68.75 65.26 0.31 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.095 0.95 . . . . 0.0 110.783 174.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.2 m -90.35 -177.87 5.21 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.073 0.94 . . . . 0.0 110.988 174.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -161.08 -56.87 0.05 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.965 0.888 . . . . 0.0 111.003 174.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -117.34 -103.84 0.41 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.712 0.768 . . . . 0.0 109.99 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 p -91.03 -38.42 12.82 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.853 0.835 . . . . 0.0 111.193 -174.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.66 177.04 20.41 Favored Glycine 0 C--N 1.32 -0.326 0 CA-C-O 122.074 0.819 . . . . 0.0 111.283 -174.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.45 ' HB3' HG12 ' A' ' 7' ' ' VAL . 95.3 m -129.01 -68.73 0.73 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.116 0.96 . . . . 0.0 110.996 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m 63.94 85.38 0.14 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.002 0.906 . . . . 0.0 110.978 175.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.7 p -107.19 65.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.99 0.9 . . . . 0.0 111.048 -175.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.894 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 43.7 t-20 -55.03 119.41 5.41 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.893 0.854 . . . . 0.0 110.853 174.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -69.59 -35.7 75.55 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.909 0.861 . . . . 0.0 111.151 -174.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.33 -37.12 92.55 Favored Glycine 0 C--N 1.32 -0.314 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 175.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.894 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -66.24 -24.92 66.68 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 122.021 -0.694 . . . . 0.0 111.609 176.306 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.63 -29.03 59.03 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.465 -0.772 . . . . 0.0 111.168 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.453 ' O ' HG23 ' A' ' 26' ' ' VAL . 16.0 t80 -75.83 -27.41 57.86 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.62 -0.675 . . . . 0.0 110.3 173.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.527 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -78.23 -27.8 47.77 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.923 0.868 . . . . 0.0 110.355 172.248 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.52 -23.37 34.63 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.667 174.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.5 ' O ' ' HB3' ' A' ' 28' ' ' ARG . . . -83.76 -44.04 6.99 Favored Glycine 0 N--CA 1.466 0.673 0 N-CA-C 109.169 -1.573 . . . . 0.0 109.169 174.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 22' ' ' PHE . 4.2 t -55.66 -36.81 43.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 122.033 0.921 . . . . 0.0 110.487 172.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.527 ' HB2' ' O ' ' A' ' 23' ' ' SER . 41.0 t-80 -75.45 -31.89 60.45 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.988 0.899 . . . . 0.0 110.928 177.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.5 ' HB3' ' O ' ' A' ' 25' ' ' GLY . 2.5 ttm180 -54.44 -44.35 72.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.021 0.915 . . . . 0.0 110.967 174.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.461 HD23 ' N ' ' A' ' 29' ' ' LEU . 2.5 mt . . . . . 0 C--N 1.32 -0.677 0 CA-C-O 121.811 0.815 . . . . 0.0 111.28 174.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 . . . . . 0 CA--C 1.511 -0.55 0 CA-C-O 122.058 0.932 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.61 72.42 0.27 Allowed Glycine 0 C--N 1.32 -0.306 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.626 HG22 HG12 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -102.77 -35.52 3.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 122.039 0.923 . . . . 0.0 110.996 178.812 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.4 t60 57.56 60.67 2.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.101 0.953 . . . . 0.0 110.947 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -58.38 116.64 3.75 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.235 1.017 . . . . 0.0 110.711 -179.382 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.47 -162.83 0.94 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.046 0.927 . . . . 0.0 111.043 176.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -103.81 38.15 1.89 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.039 0.923 . . . . 0.0 110.93 175.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.72 44.71 0.06 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.105 0.955 . . . . 0.0 110.854 174.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.65 134.94 4.1 Favored Glycine 0 N--CA 1.462 0.386 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 -174.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.442 ' O ' HG22 ' A' ' 7' ' ' VAL . 93.3 m -133.55 -58.35 0.88 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.049 0.928 . . . . 0.0 111.562 -174.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.7 m -85.81 85.97 7.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.236 1.017 . . . . 0.0 111.048 -175.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.626 HG12 HG22 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -79.45 148.96 5.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 122.015 0.912 . . . . 0.0 111.048 177.138 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -94.43 102.17 14.12 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.954 0.883 . . . . 0.0 110.974 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -80.72 -31.92 35.94 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.89 0.852 . . . . 0.0 111.126 -174.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.93 -41.89 95.14 Favored Glycine 0 N--CA 1.461 0.318 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 175.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.65 -33.28 73.68 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.97 0.89 . . . . 0.0 111.009 177.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.59 -25.75 63.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.452 0.644 . . . . 0.0 111.167 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.478 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -75.39 -27.52 59.11 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.55 -0.719 . . . . 0.0 110.322 173.214 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 t -77.71 -28.32 50.9 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.914 0.864 . . . . 0.0 110.39 172.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.64 -25.17 33.37 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.337 0.589 . . . . 0.0 111.625 174.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.82 -41.92 9.33 Favored Glycine 0 N--CA 1.466 0.641 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 174.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 22' ' ' PHE . 2.6 t -54.02 -41.22 49.05 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.496 0 CA-C-O 122.038 0.923 . . . . 0.0 110.612 172.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -34.6 72.72 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.015 0.912 . . . . 0.0 110.988 177.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.482 ' HB3' HD23 ' A' ' 29' ' ' LEU . 21.4 ttp85 -51.57 -45.2 62.99 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.008 0.908 . . . . 0.0 110.987 175.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' ' 29' ' ' LEU . 1.6 mt . . . . . 0 C--N 1.32 -0.707 0 CA-C-O 121.926 0.87 . . . . 0.0 111.181 -176.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.558 0 CA-C-O 121.732 0.777 . . . . 0.0 111.669 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.59 77.26 0.02 OUTLIER Glycine 0 C--N 1.32 -0.31 0 CA-C-O 122.018 0.788 . . . . 0.0 111.617 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.627 HG11 ' HB3' ' A' ' 14' ' ' CYS . 2.4 t -89.15 -25.24 5.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 O-C-N 122.027 -0.69 . . . . 0.0 111.185 174.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.7 t60 60.78 59.95 2.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.906 0.86 . . . . 0.0 110.695 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.0 m -47.29 147.75 1.48 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.865 0.84 . . . . 0.0 111.017 174.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.7 p -145.3 -159.65 1.03 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.695 0.759 . . . . 0.0 110.888 178.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.484 ' H ' ' HG3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -99.37 36.76 1.68 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.026 0.917 . . . . 0.0 110.888 174.638 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -136.28 -43.4 0.63 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.073 0.94 . . . . 0.0 110.84 174.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 165.62 159.24 11.46 Favored Glycine 0 C--N 1.32 -0.326 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 174.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.627 ' HB3' HG11 ' A' ' 7' ' ' VAL . 57.7 m -90.8 -140.37 0.16 Allowed 'General case' 0 C--O 1.246 0.911 0 O-C-N 121.961 -0.729 . . . . 0.0 109.816 174.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.75 81.62 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.797 0 O-C-N 121.498 -0.751 . . . . 0.0 111.847 -177.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.542 ' CG1' ' CE2' ' A' ' 18' ' ' TRP . 99.6 t -137.15 91.78 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.687 0.755 . . . . 0.0 112.511 -174.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.42 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 60.9 t30 -83.51 -9.93 58.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.487 0.661 . . . . 0.0 111.96 171.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.542 ' CE2' ' CG1' ' A' ' 16' ' ' VAL . 72.7 m95 58.74 -7.96 0.04 OUTLIER 'General case' 0 C--O 1.249 1.067 0 N-CA-C 117.476 2.399 . . . . 0.0 117.476 -172.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.85 -37.63 2.52 Favored Glycine 0 C--N 1.315 -0.633 0 CA-C-O 123.799 1.777 . . . . 0.0 108.85 171.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 3.3 mt-10 -79.21 -13.54 59.63 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-N 114.141 -1.029 . . . . 0.0 111.397 172.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.55 -31.08 47.25 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.026 0.917 . . . . 0.0 110.572 173.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.451 ' O ' HG23 ' A' ' 26' ' ' VAL . 79.8 t80 -77.02 -29.09 55.2 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.53 0.681 . . . . 0.0 110.217 173.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.817 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -77.9 -27.19 49.5 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.019 0.914 . . . . 0.0 110.336 171.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.75 -23.62 33.9 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.26 0.552 . . . . 0.0 111.679 174.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.424 ' O ' ' HB3' ' A' ' 28' ' ' ARG . . . -83.74 -44.6 6.74 Favored Glycine 0 N--CA 1.466 0.646 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 174.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 22' ' ' PHE . 5.4 t -55.69 -37.19 45.52 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 CA-C-O 122.086 0.946 . . . . 0.0 110.553 172.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.817 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -78.46 -30.34 47.38 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.952 0.882 . . . . 0.0 111.016 179.435 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.437 ' HG3' HD23 ' A' ' 29' ' ' LEU . 11.3 tpt180 -56.4 -39.95 73.85 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.996 0.903 . . . . 0.0 110.923 174.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.626 HD23 ' N ' ' A' ' 29' ' ' LEU . 1.3 mt . . . . . 0 C--N 1.32 -0.689 0 CA-C-O 121.712 0.768 . . . . 0.0 111.196 175.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.512 -0.515 0 CA-C-O 122.287 1.041 . . . . 0.0 111.487 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.427 ' O ' HG23 ' A' ' 7' ' ' VAL . . . 143.16 -16.69 2.33 Favored Glycine 0 C--N 1.32 -0.318 0 CA-C-N 115.694 -0.685 . . . . 0.0 114.673 173.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 6' ' ' GLY . 78.8 t -166.37 -61.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 122.462 1.125 . . . . 0.0 110.64 -174.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.8 t60 62.84 85.36 0.13 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 122.059 0.933 . . . . 0.0 111.065 -174.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.9 m -118.15 90.55 3.36 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.959 0.885 . . . . 0.0 110.839 174.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.2 m -55.69 -78.2 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.883 0.849 . . . . 0.0 111.262 -174.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.7 -36.85 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.852 1.31 . . . . 0.0 112.914 -174.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.3 t -75.96 -31.99 59.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.596 -1.183 . . . . 0.0 110.941 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 165.18 143.51 3.75 Favored Glycine 0 C--N 1.32 -0.324 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 174.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 95.5 m -65.99 -83.69 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.894 -0.769 . . . . 0.0 110.906 -176.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.7 m 52.91 32.83 13.23 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.887 0.851 . . . . 0.0 111.23 175.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -54.86 124.96 8.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.98 0.895 . . . . 0.0 110.951 -176.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.789 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 13.7 t-20 -81.69 136.66 35.48 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.001 0.905 . . . . 0.0 111.013 177.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -90.13 -28.26 19.07 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.781 0.8 . . . . 0.0 111.325 -174.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.39 -33.62 34.73 Favored Glycine 0 N--CA 1.462 0.37 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 174.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.789 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -74.48 -27.22 60.48 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 122.058 -0.672 . . . . 0.0 111.31 175.364 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . . . -78.02 -28.42 49.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.566 0.698 . . . . 0.0 111.314 176.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.449 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.4 t80 -76.83 -28.55 55.55 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.622 0.725 . . . . 0.0 110.208 173.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.687 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -78.64 -27.7 45.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.784 0.802 . . . . 0.0 110.332 172.442 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -82.33 -23.81 34.92 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.339 0.59 . . . . 0.0 111.533 174.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.97 -45.08 6.82 Favored Glycine 0 N--CA 1.467 0.719 0 N-CA-C 109.081 -1.607 . . . . 0.0 109.081 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 22' ' ' PHE . 6.6 t -56.07 -33.27 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 122.515 1.15 . . . . 0.0 110.452 172.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.687 ' HB2' ' O ' ' A' ' 23' ' ' SER . 1.2 t-80 -72.01 -36.71 69.8 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.966 0.889 . . . . 0.0 111.019 174.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.09 -57.62 10.4 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.121 0.962 . . . . 0.0 110.727 176.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.662 0 CA-C-O 122.098 0.952 . . . . 0.0 110.942 174.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 . . . . . 0 CA--C 1.511 -0.538 0 CA-C-O 122.27 1.033 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -148.39 31.54 1.27 Allowed Glycine 0 C--N 1.32 -0.323 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 174.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.645 HG13 ' HB ' ' A' ' 16' ' ' VAL . 48.8 t -99.01 -67.8 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 122.079 0.942 . . . . 0.0 110.884 -174.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.3 t60 60.01 80.04 0.22 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.032 0.92 . . . . 0.0 111.336 174.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.46 117.62 6.42 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.457 0.646 . . . . 0.0 110.605 174.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.83 -85.07 0.57 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.754 0.787 . . . . 0.0 111.945 -173.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.528 ' HG2' ' H ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -96.46 -101.41 0.18 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.826 0.822 . . . . 0.0 110.447 -173.563 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.9 m -47.57 -26.13 1.36 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.931 -174.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.16 -141.48 8.54 Favored Glycine 0 N--CA 1.462 0.373 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 174.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.4 m -94.41 -88.35 0.24 Allowed 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.864 -0.786 . . . . 0.0 110.652 174.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m 48.64 55.98 8.27 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.854 0.835 . . . . 0.0 111.217 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.645 ' HB ' HG13 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -52.93 106.57 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 122.015 0.912 . . . . 0.0 111.174 -174.624 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -51.53 101.44 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.982 0.896 . . . . 0.0 111.005 174.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -64.6 -25.54 68.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.491 0.662 . . . . 0.0 111.416 -174.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.86 -48.74 81.88 Favored Glycine 0 N--CA 1.461 0.321 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 174.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -62.94 -34.31 77.2 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.837 0.827 . . . . 0.0 111.065 -177.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.79 -24.15 61.69 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.444 0.64 . . . . 0.0 111.304 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.7 t80 -76.13 -28.33 57.39 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.521 -0.737 . . . . 0.0 110.282 173.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.605 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 1.2 t -77.81 -28.43 50.32 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.908 0.861 . . . . 0.0 110.375 172.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.3 -22.49 32.94 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.185 0.517 . . . . 0.0 111.783 174.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' A' ' 28' ' ' ARG . . . -83.84 -43.77 7.07 Favored Glycine 0 N--CA 1.466 0.66 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 174.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 22' ' ' PHE . 4.8 t -56.01 -36.44 44.65 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 CA-C-O 122.236 1.017 . . . . 0.0 110.531 172.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.605 ' HB2' ' O ' ' A' ' 23' ' ' SER . 1.2 t-80 -69.34 -38.42 78.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.012 0.911 . . . . 0.0 110.904 174.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.526 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 12.1 mtp180 -52.48 -52.49 54.12 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.995 0.902 . . . . 0.0 111.002 175.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.586 HD23 ' N ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.32 -0.706 0 CA-C-O 121.793 0.806 . . . . 0.0 111.259 178.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.511 -0.544 0 CA-C-O 122.094 0.95 . . . . 0.0 111.309 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 97.01 26.95 9.81 Favored Glycine 0 C--O 1.242 0.606 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.643 174.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -85.26 -34.54 8.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 O-C-N 121.361 -1.082 . . . . 0.0 110.839 174.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.6 t60 62.52 88.05 0.1 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.054 0.93 . . . . 0.0 111.367 174.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 m -118.48 91.59 3.6 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.534 0.683 . . . . 0.0 110.632 174.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.94 -91.6 0.5 Allowed 'General case' 0 C--N 1.32 -0.684 0 O-C-N 121.649 -0.657 . . . . 0.0 112.148 -173.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.41 ' H ' ' HG3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -107.14 34.91 3.24 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.393 -0.817 . . . . 0.0 112.072 -173.181 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.92 60.56 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.009 0.909 . . . . 0.0 110.983 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.18 -168.6 0.7 Allowed Glycine 0 N--CA 1.464 0.501 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -174.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.0 m -68.35 -75.94 0.1 Allowed 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.664 -0.903 . . . . 0.0 110.846 174.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.98 71.33 0.5 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.012 0.91 . . . . 0.0 110.958 178.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 t -81.72 107.41 13.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.959 0.885 . . . . 0.0 111.24 -174.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.624 ' OD1' ' HG3' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -53.12 112.05 0.79 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.874 0.845 . . . . 0.0 110.786 174.446 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -79.48 -27.61 41.52 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.68 0.753 . . . . 0.0 111.444 -174.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.93 -49.51 53.87 Favored Glycine 0 N--CA 1.461 0.337 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 174.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.624 ' HG3' ' OD1' ' A' ' 17' ' ' ASN . 2.6 mm-40 -62.08 -27.89 69.23 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.947 -0.737 . . . . 0.0 111.471 176.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.06 -27.28 61.65 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.612 0.72 . . . . 0.0 111.17 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.461 ' O ' HG23 ' A' ' 26' ' ' VAL . 5.0 t80 -75.83 -27.3 57.83 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.574 0.702 . . . . 0.0 110.332 173.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.4 m -78.47 -28.14 46.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.88 0.848 . . . . 0.0 110.359 172.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.01 -25.02 35.07 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.302 0.573 . . . . 0.0 111.454 174.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.485 ' HA2' ' HB2' ' A' ' 28' ' ' ARG . . . -82.14 -42.86 8.44 Favored Glycine 0 N--CA 1.465 0.632 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 174.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 22' ' ' PHE . 2.6 t -53.35 -38.23 31.44 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.461 0 CA-C-O 122.154 0.978 . . . . 0.0 110.467 172.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -40.12 72.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 122.024 0.916 . . . . 0.0 110.886 174.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.522 ' HB3' HD23 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -50.47 -49.26 55.69 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.961 0.886 . . . . 0.0 111.053 176.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.651 HD23 ' N ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.319 -0.74 0 CA-C-O 121.846 0.831 . . . . 0.0 111.173 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 58.2 t30 . . . . . 0 CA--C 1.51 -0.575 0 CA-C-O 121.566 0.698 . . . . 0.0 111.671 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.535 ' O ' HG23 ' A' ' 7' ' ' VAL . . . -136.6 62.96 0.59 Allowed Glycine 0 C--N 1.32 -0.325 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 178.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 6' ' ' GLY . 3.3 t -162.16 -62.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 122.004 0.906 . . . . 0.0 111.067 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.841 ' O ' HG22 ' A' ' 10' ' ' THR . 0.2 OUTLIER 24.44 57.41 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 126.278 1.831 . . . . 0.0 113.66 179.651 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 75.7 m -46.57 98.54 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.707 173.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.841 HG22 ' O ' ' A' ' 8' ' ' HIS . 11.2 t -172.67 28.68 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.848 0.832 . . . . 0.0 111.308 -173.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -148.18 48.92 1.05 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.019 0.914 . . . . 0.0 111.03 -174.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t 63.04 39.74 9.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.977 0.894 . . . . 0.0 110.924 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.04 159.03 9.91 Favored Glycine 0 C--N 1.32 -0.351 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -174.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 77.3 m -86.63 -107.11 0.06 Allowed 'General case' 0 C--O 1.245 0.836 0 O-C-N 121.79 -0.83 . . . . 0.0 110.594 -175.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.12 -45.81 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 122.029 0.919 . . . . 0.0 111.054 -174.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 16' ' ' VAL . 1.2 t -80.1 108.9 14.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 122.108 0.956 . . . . 0.0 111.458 -174.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.966 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -66.41 129.64 40.51 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.922 0.868 . . . . 0.0 111.118 174.515 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -94.76 -39.15 10.43 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.792 0.806 . . . . 0.0 111.203 -175.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.19 -42.14 94.47 Favored Glycine 0 N--CA 1.462 0.383 0 CA-C-O 122.392 0.995 . . . . 0.0 110.696 174.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.966 ' HB2' ' HB2' ' A' ' 17' ' ' ASN . 1.6 mp0 -65.67 -26.87 67.98 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.665 0.745 . . . . 0.0 111.025 174.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.5 -25.52 63.18 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 121.589 -0.694 . . . . 0.0 111.286 174.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.463 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.4 t80 -76.06 -29.63 58.09 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.506 -0.746 . . . . 0.0 110.251 173.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.606 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 2.6 t -76.88 -28.18 55.28 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.814 0.816 . . . . 0.0 110.491 172.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.35 -23.97 32.26 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.263 0.554 . . . . 0.0 111.743 174.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.46 -44.48 7.38 Favored Glycine 0 N--CA 1.466 0.641 0 N-CA-C 109.148 -1.581 . . . . 0.0 109.148 174.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 22' ' ' PHE . 5.6 t -55.45 -35.39 37.38 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 CA-C-O 122.453 1.121 . . . . 0.0 110.392 172.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.606 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -69.47 -36.98 77.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.013 0.911 . . . . 0.0 110.896 174.627 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.4 -58.32 7.54 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.122 0.963 . . . . 0.0 110.86 174.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--N 1.321 -0.653 0 CA-C-O 121.684 0.754 . . . . 0.0 111.302 175.211 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.512 -0.515 0 CA-C-O 121.689 0.756 . . . . 0.0 112.061 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.06 -12.51 79.28 Favored Glycine 0 C--O 1.243 0.668 0 N-CA-C 114.444 0.537 . . . . 0.0 114.444 -173.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.446 HG12 ' SG ' ' A' ' 9' ' ' CYS . 50.1 t -50.64 -37.2 15.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 O-C-N 121.294 -1.121 . . . . 0.0 111.961 -174.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 48.93 73.81 0.21 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.132 0.968 . . . . 0.0 111.819 175.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.572 ' HB3' ' O ' ' A' ' 13' ' ' GLY . 56.3 m -84.81 93.61 8.52 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.66 174.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.0 p -119.31 103.26 9.33 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.213 1.006 . . . . 0.0 112.131 -173.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.583 ' O ' ' HB2' ' A' ' 12' ' ' SER . 0.0 OUTLIER 45.7 54.6 7.58 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.045 0.926 . . . . 0.0 112.37 173.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.583 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 1.4 t 168.3 42.61 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.854 0.835 . . . . 0.0 110.699 -175.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.572 ' O ' ' HB3' ' A' ' 9' ' ' CYS . . . 54.55 -119.57 12.92 Favored Glycine 0 N--CA 1.465 0.612 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 -173.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.1 m -134.06 -74.69 0.48 Allowed 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.089 -0.653 . . . . 0.0 110.537 173.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m 47.41 26.71 0.8 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.682 0.753 . . . . 0.0 111.857 174.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.685 HG13 ' CZ2' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -69.81 138.17 22.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 122.071 0.939 . . . . 0.0 111.132 -174.449 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.679 HD22 ' HB2' ' A' ' 20' ' ' GLU . 2.6 t30 -74.96 129.37 37.53 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.959 0.885 . . . . 0.0 111.054 175.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.685 ' CZ2' HG13 ' A' ' 16' ' ' VAL . 33.3 m95 -101.21 -22.74 14.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.326 0.584 . . . . 0.0 111.71 -175.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.2 -50.78 15.67 Favored Glycine 0 N--CA 1.462 0.371 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 174.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.679 ' HB2' HD22 ' A' ' 17' ' ' ASN . 0.0 OUTLIER -67.17 -29.87 69.67 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.572 0.701 . . . . 0.0 111.229 177.629 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.3 -21.56 56.08 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.649 -0.657 . . . . 0.0 111.642 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -77.5 -29.79 52.67 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.419 -0.801 . . . . 0.0 110.209 173.362 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.551 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 3.6 m -77.45 -28.23 52.36 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.881 0.848 . . . . 0.0 110.397 172.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.22 -22.82 30.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.239 0.543 . . . . 0.0 111.803 174.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.491 ' O ' ' HB3' ' A' ' 28' ' ' ARG . . . -83.1 -42.9 7.81 Favored Glycine 0 N--CA 1.467 0.712 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 174.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 22' ' ' PHE . 3.5 t -55.33 -40.32 56.45 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.481 0 CA-C-O 122.174 0.987 . . . . 0.0 110.567 172.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.551 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.1 OUTLIER -68.34 -37.35 80.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.048 0.928 . . . . 0.0 110.941 176.091 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.491 ' HB3' ' O ' ' A' ' 25' ' ' GLY . 7.2 tpp85 -54.74 -41.89 70.93 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.96 0.886 . . . . 0.0 110.977 176.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.698 HD23 ' N ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.32 -0.691 0 CA-C-O 121.615 0.721 . . . . 0.0 111.377 175.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.487 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.987 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.574 ' O ' HG22 ' A' ' 16' ' ' VAL . . . 67.2 2.84 21.15 Favored Glycine 0 N--CA 1.462 0.391 0 O-C-N 121.132 -0.98 . . . . 0.0 114.639 177.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 5' ' ' ASN . 97.0 t -108.2 59.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 122.468 1.127 . . . . 0.0 111.42 -173.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -95.58 49.43 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 122.968 1.366 . . . . 0.0 110.404 173.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 65.3 m -52.59 147.67 8.15 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.3 p -116.15 -155.84 0.59 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.368 0.604 . . . . 0.0 110.77 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HG2' ' H ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -95.41 39.19 1.13 Allowed 'General case' 0 C--N 1.32 -0.705 0 O-C-N 121.485 -0.76 . . . . 0.0 111.458 177.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.85 -43.24 0.43 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.1 0.952 . . . . 0.0 110.914 174.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.45 -125.53 0.85 Allowed Glycine 0 N--CA 1.46 0.245 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 174.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.4 m -137.2 -70.78 0.45 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.877 0.846 . . . . 0.0 110.916 174.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.59 83.22 0.06 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.996 0.903 . . . . 0.0 111.057 175.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.722 HG11 ' CH2' ' A' ' 18' ' ' TRP . 15.2 t -80.77 136.51 23.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.983 0.897 . . . . 0.0 111.01 177.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.7 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 2.0 t-20 -96.53 114.09 25.72 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.908 0.861 . . . . 0.0 110.963 174.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.722 ' CH2' HG11 ' A' ' 16' ' ' VAL . 22.9 m95 -89.91 -32.2 16.95 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.896 0.855 . . . . 0.0 111.118 -175.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.47 -37.48 35.65 Favored Glycine 0 C--N 1.32 -0.313 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 174.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.7 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 3.3 mm-40 -72.25 -27.62 62.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.554 0.692 . . . . 0.0 111.296 174.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . -76.72 -26.04 54.21 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 121.575 -0.703 . . . . 0.0 111.265 177.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.442 ' O ' HG23 ' A' ' 26' ' ' VAL . 29.0 t80 -76.92 -30.11 55.98 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.541 -0.725 . . . . 0.0 110.247 173.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.586 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 1.5 t -77.99 -27.22 48.99 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.763 0.792 . . . . 0.0 110.464 172.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -83.06 -24.93 32.53 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.307 0.575 . . . . 0.0 111.485 174.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.49 -46.02 7.09 Favored Glycine 0 N--CA 1.467 0.738 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 175.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 22' ' ' PHE . 6.6 t -54.97 -36.67 39.17 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 CA-C-O 122.581 1.182 . . . . 0.0 110.456 172.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.586 ' HB2' ' O ' ' A' ' 23' ' ' SER . 47.9 t-80 -69.51 -35.1 75.2 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.09 176.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -49.21 74.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.258 1.028 . . . . 0.0 110.857 175.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.57 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.383 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.577 0 CA-C-O 121.898 0.856 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -111.3 -61.34 0.47 Allowed Glycine 0 C--N 1.319 -0.379 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -174.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.762 HG13 ' SG ' ' A' ' 9' ' ' CYS . 0.9 OUTLIER -55.72 -68.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 122.111 0.958 . . . . 0.0 110.969 -175.172 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.597 ' N ' HG12 ' A' ' 7' ' ' VAL . 0.5 OUTLIER 59.54 60.03 2.4 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.051 0.929 . . . . 0.0 110.973 174.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.762 ' SG ' HG13 ' A' ' 7' ' ' VAL . 48.0 m -102.03 127.56 48.85 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.829 0.823 . . . . 0.0 110.889 174.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.726 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 2.4 m -111.72 64.31 0.62 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.718 0.77 . . . . 0.0 111.188 -174.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.726 ' HG2' ' O ' ' A' ' 10' ' ' THR . 0.0 OUTLIER 44.28 55.5 5.51 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.966 0.889 . . . . 0.0 112.047 174.73 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.531 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 8.4 t 177.59 -56.35 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.037 0.922 . . . . 0.0 111.112 178.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.69 -156.81 7.06 Favored Glycine 0 C--N 1.321 -0.303 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 174.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.538 ' HB3' HG12 ' A' ' 16' ' ' VAL . 61.9 m -142.12 -52.01 0.41 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.155 0.979 . . . . 0.0 110.96 -175.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 73.61 14.52 4.24 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.453 175.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.538 HG12 ' HB3' ' A' ' 14' ' ' CYS . 0.2 OUTLIER -85.56 93.18 3.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 O-C-N 121.182 -0.949 . . . . 0.0 110.829 174.538 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.986 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 1.5 t-20 -78.19 143.88 36.8 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.884 0.85 . . . . 0.0 110.832 175.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 26.8 m95 -83.06 -36.97 24.49 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.926 0.869 . . . . 0.0 110.849 -178.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.69 -45.66 57.69 Favored Glycine 0 N--CA 1.462 0.401 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 174.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.986 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 1.5 mp0 -68.18 -16.56 64.04 Favored 'General case' 0 C--O 1.242 0.665 0 O-C-N 122.256 -0.555 . . . . 0.0 111.74 174.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . -74.74 -27.71 60.47 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.297 -0.877 . . . . 0.0 111.018 174.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.459 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.0 t80 -79.08 -27.63 43.02 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.571 0.701 . . . . 0.0 110.107 172.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.788 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -76.48 -26.55 55.45 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.621 0.724 . . . . 0.0 110.215 171.595 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.65 -29.72 27.42 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.621 0.724 . . . . 0.0 111.223 174.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.2 -40.4 34.26 Favored Glycine 0 N--CA 1.468 0.824 0 N-CA-C 108.209 -1.956 . . . . 0.0 108.209 174.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 22' ' ' PHE . 3.1 t -60.25 -40.0 82.41 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-O 122.944 1.354 . . . . 0.0 110.25 171.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.788 ' HB2' ' O ' ' A' ' 23' ' ' SER . 44.2 t-80 -75.25 -16.02 60.49 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.05 -177.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.5 tmm_? -83.97 -57.35 3.23 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.32 -0.862 . . . . 0.0 111.302 173.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.633 HD23 ' N ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.32 -0.699 0 CA-C-O 122.106 0.955 . . . . 0.0 110.853 174.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 . . . . . 0 CA--C 1.511 -0.555 0 CA-C-O 122.013 0.911 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 157.74 49.9 0.01 OUTLIER Glycine 0 C--N 1.321 -0.298 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.828 HG13 ' CG2' ' A' ' 16' ' ' VAL . 2.6 t -144.49 59.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 122.005 0.907 . . . . 0.0 110.971 175.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 8' ' ' HIS . 0.2 OUTLIER -150.92 77.89 1.28 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 124.138 1.923 . . . . 0.0 110.359 -179.806 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -44.4 101.3 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 114.635 -1.166 . . . . 0.0 111.64 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 1.023 HG22 ' HG2' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -124.72 -44.95 1.93 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.805 0.812 . . . . 0.0 111.201 -174.566 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 1.023 ' HG2' HG22 ' A' ' 10' ' ' THR . 9.0 mmmt -96.95 -100.65 0.18 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.913 0.863 . . . . 0.0 110.074 -174.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.6 m -127.54 46.78 2.48 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.018 0.913 . . . . 0.0 111.006 -178.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.79 159.62 8.02 Favored Glycine 0 C--N 1.32 -0.334 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 m -80.01 -53.7 6.48 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.253 1.025 . . . . 0.0 110.931 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 82.27 28.93 0.13 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.13 0.967 . . . . 0.0 110.985 176.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.828 ' CG2' HG13 ' A' ' 7' ' ' VAL . 1.7 t -70.85 147.95 10.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.91 0.862 . . . . 0.0 110.904 -177.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.83 ' CG ' ' HB2' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -78.26 112.09 14.89 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.951 0.881 . . . . 0.0 110.941 -177.545 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -88.32 -26.83 22.05 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.624 0.726 . . . . 0.0 111.359 -174.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.0 -31.94 41.53 Favored Glycine 0 N--CA 1.461 0.338 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 174.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.83 ' HB2' ' CG ' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -74.19 -31.98 62.88 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.833 0.825 . . . . 0.0 111.125 176.35 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . . . -78.37 -21.8 48.87 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.29 0.567 . . . . 0.0 111.493 175.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.457 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -76.82 -30.74 56.5 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.448 -0.783 . . . . 0.0 110.253 173.292 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.472 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 25.2 t -78.24 -27.42 47.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.806 0.813 . . . . 0.0 110.391 173.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -84.56 -21.81 30.31 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.159 0.504 . . . . 0.0 111.768 174.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.89 -44.72 6.64 Favored Glycine 0 N--CA 1.466 0.679 0 N-CA-C 109.13 -1.588 . . . . 0.0 109.13 174.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 22' ' ' PHE . 5.5 t -55.02 -38.55 46.29 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.47 0 CA-C-O 122.206 1.003 . . . . 0.0 110.523 172.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 23' ' ' SER . 7.1 t-160 -68.63 -38.1 80.26 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.002 0.905 . . . . 0.0 110.909 175.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.424 ' HB3' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -54.65 -50.29 68.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.994 0.902 . . . . 0.0 111.039 178.109 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.591 HD23 ' N ' ' A' ' 29' ' ' LEU . 1.3 mt . . . . . 0 C--N 1.32 -0.702 0 CA-C-O 121.44 0.638 . . . . 0.0 111.442 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 CA--C 1.51 -0.591 0 CA-C-O 121.997 0.903 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 88.74 39.82 6.49 Favored Glycine 0 C--N 1.32 -0.314 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 178.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.5 t -127.61 -48.39 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.955 0.883 . . . . 0.0 110.978 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.5 t60 61.14 66.99 0.83 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.008 0.908 . . . . 0.0 110.967 -177.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.49 ' HB2' ' HB3' ' A' ' 14' ' ' CYS . 42.7 t -80.95 95.59 6.81 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.002 0.906 . . . . 0.0 110.989 176.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.658 HG23 ' N ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -101.65 -159.42 0.73 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.347 0.594 . . . . 0.0 110.704 -174.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.658 ' N ' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER -96.45 37.11 1.29 Allowed 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.413 -0.804 . . . . 0.0 111.358 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 m -134.44 -42.9 0.77 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.107 0.956 . . . . 0.0 110.795 174.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.77 147.87 5.77 Favored Glycine 0 N--CA 1.461 0.308 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 174.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.49 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -111.47 -144.97 0.39 Allowed 'General case' 0 C--N 1.318 -0.77 0 O-C-N 121.875 -0.78 . . . . 0.0 109.927 -179.051 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.4 p 43.66 60.88 2.47 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.784 0.802 . . . . 0.0 111.419 -174.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.615 HG11 ' CH2' ' A' ' 18' ' ' TRP . 16.8 t -106.08 117.16 51.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.947 0.88 . . . . 0.0 111.601 -174.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -94.63 117.97 30.96 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.57 0.7 . . . . 0.0 110.58 173.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.615 ' CH2' HG11 ' A' ' 16' ' ' VAL . 49.6 m95 -88.32 -33.47 17.98 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.639 0.733 . . . . 0.0 111.591 -174.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.69 -43.85 73.71 Favored Glycine 0 N--CA 1.462 0.373 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 174.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.16 -25.29 59.64 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 122.176 -0.602 . . . . 0.0 111.526 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.496 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . . . -81.59 -18.86 43.33 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.527 -0.733 . . . . 0.0 111.753 177.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.451 ' O ' HG23 ' A' ' 26' ' ' VAL . 37.6 t80 -80.59 -32.12 36.57 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.389 -0.82 . . . . 0.0 109.877 172.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 28.7 t -78.68 -30.17 45.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.816 0.817 . . . . 0.0 110.385 172.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.496 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -84.81 -19.21 32.86 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.003 174.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.35 -44.65 6.13 Favored Glycine 0 N--CA 1.466 0.644 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 174.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 22' ' ' PHE . 6.8 t -56.17 -38.15 52.82 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.539 0 CA-C-O 121.933 0.873 . . . . 0.0 110.68 172.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 23' ' ' SER . 1.4 m170 -75.8 -34.4 60.18 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.955 0.883 . . . . 0.0 111.038 177.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.68 ' HB3' HD23 ' A' ' 29' ' ' LEU . 1.5 ttt180 -57.08 -46.45 82.52 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.989 0.899 . . . . 0.0 110.992 177.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.68 HD23 ' HB3' ' A' ' 28' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.32 -0.689 0 CA-C-O 121.9 0.857 . . . . 0.0 111.07 -175.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 CA--C 1.511 -0.548 0 CA-C-O 121.553 0.692 . . . . 0.0 111.88 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.76 64.22 1.38 Allowed Glycine 0 C--N 1.32 -0.336 0 CA-C-O 122.058 0.81 . . . . 0.0 111.54 174.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.415 HG12 ' CG2' ' A' ' 16' ' ' VAL . 0.5 OUTLIER -73.45 -2.75 3.67 Favored 'Isoleucine or valine' 0 C--O 1.246 0.89 0 O-C-N 121.978 -0.719 . . . . 0.0 112.678 -178.825 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.1 t60 66.01 87.54 0.12 Allowed 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.117 -0.989 . . . . 0.0 110.771 174.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.2 m -117.74 154.99 30.77 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.012 0.91 . . . . 0.0 110.994 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.5 p -128.57 -162.52 1.2 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.004 0.907 . . . . 0.0 110.978 175.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -97.7 41.59 1.12 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.911 0.863 . . . . 0.0 111.09 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -165.26 -51.11 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.992 0.901 . . . . 0.0 111.031 174.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -164.29 148.3 14.27 Favored Glycine 0 C--N 1.32 -0.348 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.7 m -89.93 -69.56 0.71 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.943 0.878 . . . . 0.0 110.979 -174.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.1 t 67.74 100.68 0.05 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.961 0.886 . . . . 0.0 111.011 174.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.415 ' CG2' HG12 ' A' ' 7' ' ' VAL . 2.8 t -91.37 112.75 25.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.86 0.838 . . . . 0.0 111.121 -174.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.804 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -72.36 152.04 42.31 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.925 0.869 . . . . 0.0 111.025 174.657 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -110.62 -43.56 3.82 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.751 0.786 . . . . 0.0 111.015 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.32 -44.78 63.77 Favored Glycine 0 N--CA 1.463 0.434 0 CA-C-O 122.549 1.083 . . . . 0.0 110.466 174.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.804 ' HB2' ' HB2' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -66.33 -25.85 67.02 Favored 'General case' 0 CA--C 1.509 -0.599 0 O-C-N 122.03 -0.688 . . . . 0.0 111.037 174.317 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . -70.83 -26.18 63.17 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 121.586 -0.696 . . . . 0.0 111.145 174.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 26' ' ' VAL . 40.4 t80 -76.09 -28.61 57.63 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.652 0.739 . . . . 0.0 110.251 173.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.459 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 63.9 m -77.27 -28.58 53.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.875 0.845 . . . . 0.0 110.4 172.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.97 -22.89 33.59 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.255 0.55 . . . . 0.0 111.819 174.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.63 -43.86 7.12 Favored Glycine 0 N--CA 1.465 0.62 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 174.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 22' ' ' PHE . 4.1 t -55.06 -35.32 34.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 122.154 0.978 . . . . 0.0 110.55 172.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.459 ' HB2' ' O ' ' A' ' 23' ' ' SER . 7.0 t-80 -72.78 -39.02 67.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.025 0.917 . . . . 0.0 110.969 174.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.41 -37.95 51.06 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.078 0.942 . . . . 0.0 111.03 177.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 29' ' ' LEU . 1.2 mt . . . . . 0 C--N 1.32 -0.708 0 CA-C-O 121.724 0.773 . . . . 0.0 111.233 177.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.511 -0.553 0 CA-C-O 122.011 0.91 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.37 101.86 0.68 Allowed Glycine 0 C--N 1.319 -0.403 0 CA-C-O 122.982 1.323 . . . . 0.0 110.475 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.6 t -138.06 -71.01 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-O 121.99 0.9 . . . . 0.0 110.975 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.5 t60 54.74 71.2 0.55 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.994 0.902 . . . . 0.0 111.056 174.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.3 m -86.96 118.82 26.59 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.98 0.895 . . . . 0.0 111.034 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 t -159.75 155.69 26.35 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.037 0.922 . . . . 0.0 110.993 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.15 78.88 0.21 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.054 0.93 . . . . 0.0 110.988 175.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.8 m 68.92 65.16 0.29 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.06 0.933 . . . . 0.0 110.971 175.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.86 -155.9 46.98 Favored Glycine 0 C--N 1.321 -0.298 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 175.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.4 m -97.49 -75.51 0.54 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.805 0.812 . . . . 0.0 110.924 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.0 p 46.42 51.67 11.46 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.944 0.878 . . . . 0.0 111.305 -174.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 17' ' ' ASN . 0.4 OUTLIER -96.04 147.75 5.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 122.073 0.939 . . . . 0.0 111.292 -174.819 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.468 ' O ' HG22 ' A' ' 16' ' ' VAL . 1.3 t-20 -96.15 -159.95 0.76 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.499 0.666 . . . . 0.0 110.719 174.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -145.27 -42.79 0.22 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.621 0.724 . . . . 0.0 111.559 -177.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.69 -37.25 52.23 Favored Glycine 0 N--CA 1.462 0.378 0 N-CA-C 110.551 -1.02 . . . . 0.0 110.551 174.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -73.18 -25.93 60.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.296 0.569 . . . . 0.0 111.359 174.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.482 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . . . -82.24 -17.21 46.84 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 121.568 -0.707 . . . . 0.0 112.019 176.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -84.9 -26.68 27.13 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.304 -0.873 . . . . 0.0 110.134 172.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 t -83.94 -26.31 29.39 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.749 0.785 . . . . 0.0 110.233 171.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.616 ' O ' ' HB2' ' A' ' 28' ' ' ARG . . . -86.58 -27.39 23.93 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.601 0.715 . . . . 0.0 111.228 174.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.16 -41.48 39.03 Favored Glycine 0 N--CA 1.467 0.745 0 N-CA-C 108.36 -1.896 . . . . 0.0 108.36 173.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.557 HG12 ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -47.43 -63.31 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 CA-C-O 123.476 1.608 . . . . 0.0 110.659 172.046 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.557 ' N ' HG12 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -68.52 -27.65 66.3 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.053 -174.543 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.616 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 18.0 ttt180 -57.8 -37.69 74.21 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.055 0.931 . . . . 0.0 110.684 174.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.684 HD23 ' N ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.32 -0.697 0 CA-C-O 122.317 1.056 . . . . 0.0 110.878 174.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 CA--C 1.512 -0.496 0 CA-C-O 123.725 1.726 . . . . 0.0 111.442 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 121.74 4.14 9.77 Favored Glycine 0 C--N 1.319 -0.362 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.924 -172.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 8' ' ' HIS . 2.5 t -87.46 -69.15 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 122.142 0.972 . . . . 0.0 109.926 173.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.4 ' N ' HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER 52.05 82.86 0.06 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.786 1.279 . . . . 0.0 111.425 173.006 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -88.78 73.9 8.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 122.078 0.942 . . . . 0.0 110.848 174.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.2 p -83.44 -159.7 0.38 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.87 0.843 . . . . 0.0 110.981 -176.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -99.83 43.43 1.06 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.043 0.925 . . . . 0.0 111.021 174.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.7 t -140.34 -49.95 0.46 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.952 0.882 . . . . 0.0 111.004 174.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.55 142.48 5.94 Favored Glycine 0 C--N 1.321 -0.299 0 CA-C-O 122.029 0.794 . . . . 0.0 111.174 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 15' ' ' SER . 62.7 m -80.82 -63.02 1.5 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.093 0.949 . . . . 0.0 110.944 174.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.452 ' HB2' ' O ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER 70.19 73.02 0.22 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.953 0.883 . . . . 0.0 110.957 -174.802 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.9 t -145.65 160.13 12.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.991 0.9 . . . . 0.0 111.103 -174.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.654 ' CG ' ' HB3' ' A' ' 20' ' ' GLU . 9.6 t-20 -99.19 112.93 24.97 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.938 0.875 . . . . 0.0 110.985 174.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -94.05 -28.39 15.76 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.721 0.772 . . . . 0.0 111.359 -174.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.03 -34.96 40.27 Favored Glycine 0 N--CA 1.461 0.356 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.654 ' HB3' ' CG ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -67.35 -34.56 77.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.922 0.867 . . . . 0.0 111.005 174.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.66 -21.97 59.14 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.24 0.543 . . . . 0.0 111.456 177.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.456 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -75.41 -30.99 60.24 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 121.436 -0.79 . . . . 0.0 110.171 172.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -73.94 -31.49 63.07 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 122.058 0.932 . . . . 0.0 110.423 172.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.72 -24.11 31.35 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.744 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.73 -43.06 8.57 Favored Glycine 0 N--CA 1.465 0.609 0 N-CA-C 109.184 -1.567 . . . . 0.0 109.184 174.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 22' ' ' PHE . 2.8 t -52.37 -41.75 36.06 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-O 121.967 0.889 . . . . 0.0 110.575 172.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -70.06 -34.85 73.73 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.963 0.887 . . . . 0.0 111.058 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -53.9 -40.67 66.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.949 0.88 . . . . 0.0 110.96 175.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.605 HD23 ' N ' ' A' ' 29' ' ' LEU . 1.2 mt . . . . . 0 C--N 1.32 -0.687 0 CA-C-O 121.96 0.886 . . . . 0.0 111.051 178.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 44.9 t30 . . . . . 0 C--O 1.24 0.604 0 CA-C-O 121.195 0.521 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.31 -76.34 0.67 Allowed Glycine 0 N--CA 1.462 0.433 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 174.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.005 HG21 HG11 ' A' ' 16' ' ' VAL . 8.4 p -141.04 -60.59 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 122.357 1.075 . . . . 0.0 111.314 -174.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.548 ' CE1' ' CG2' ' A' ' 10' ' ' THR . 1.8 t60 137.9 77.11 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 127.924 2.489 . . . . 0.0 108.673 -171.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.452 ' HB2' ' HB3' ' A' ' 14' ' ' CYS . 16.3 t -59.13 95.02 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.996 0.903 . . . . 0.0 111.709 -173.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.548 ' CG2' ' CE1' ' A' ' 8' ' ' HIS . 1.4 t -173.55 29.73 0.01 OUTLIER 'General case' 0 C--O 1.242 0.68 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.553 174.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.576 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 10.4 ptmt -148.83 33.16 0.76 Allowed 'General case' 0 C--N 1.32 -0.714 0 O-C-N 121.292 -0.88 . . . . 0.0 111.821 -174.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.526 ' HB3' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER 89.29 -27.4 0.05 Allowed 'General case' 0 C--O 1.243 0.734 0 C-N-CA 124.097 0.959 . . . . 0.0 111.688 174.608 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -130.6 122.07 3.47 Favored Glycine 0 C--N 1.318 -0.433 0 O-C-N 121.26 -0.9 . . . . 0.0 110.899 174.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.642 ' O ' HG12 ' A' ' 7' ' ' VAL . 59.7 m -92.61 -56.97 2.82 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.823 1.297 . . . . 0.0 110.994 -177.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.29 56.21 3.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.949 1.357 . . . . 0.0 110.777 172.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.005 HG11 HG21 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -56.13 135.5 19.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 122.903 1.335 . . . . 0.0 112.623 -174.686 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.479 HD22 ' HG3' ' A' ' 20' ' ' GLU . 3.0 t-20 -97.33 -148.07 0.32 Allowed 'General case' 0 C--O 1.244 0.814 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.705 172.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -141.13 -41.77 0.38 Allowed 'General case' 0 C--N 1.317 -0.808 0 O-C-N 121.503 -0.748 . . . . 0.0 111.069 174.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.57 -40.84 26.3 Favored Glycine 0 N--CA 1.462 0.413 0 CA-C-O 123.014 1.341 . . . . 0.0 109.963 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.479 ' HG3' HD22 ' A' ' 17' ' ' ASN . 6.2 mm-40 -74.16 -24.25 59.37 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 122.063 -0.669 . . . . 0.0 111.401 174.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . . . -77.33 -25.26 50.96 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.49 -0.756 . . . . 0.0 111.339 176.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.472 ' O ' HG23 ' A' ' 26' ' ' VAL . 63.3 t80 -78.11 -30.45 49.47 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.555 -0.715 . . . . 0.0 110.096 173.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 24.6 t -77.01 -27.67 54.72 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.865 0.84 . . . . 0.0 110.466 172.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.426 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -84.07 -24.15 30.52 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.233 0.54 . . . . 0.0 111.74 174.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.33 -42.77 8.37 Favored Glycine 0 N--CA 1.466 0.639 0 N-CA-C 109.229 -1.549 . . . . 0.0 109.229 174.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 22' ' ' PHE . 3.3 t -54.99 -40.08 52.29 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.466 0 CA-C-O 122.106 0.955 . . . . 0.0 110.582 172.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.493 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.1 OUTLIER -66.84 -42.24 86.09 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.986 0.898 . . . . 0.0 110.95 175.107 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -55.02 -35.58 64.57 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.992 0.901 . . . . 0.0 110.966 -176.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.578 HD23 ' N ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.32 -0.715 0 CA-C-O 121.881 0.848 . . . . 0.0 111.077 176.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.576 0 CA-C-O 121.997 0.903 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -129.9 36.92 3.99 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.83 0.824 . . . . 0.0 111.159 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.6 m-30 -99.07 28.68 4.27 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.712 0.768 . . . . 0.0 111.358 175.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.53 132.21 3.65 Favored Glycine 0 N--CA 1.462 0.377 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -174.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 68.01 133.14 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.464 0.649 . . . . 0.0 110.388 -173.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.11 -3.95 78.35 Favored Glycine 0 N--CA 1.459 0.227 0 O-C-N 121.359 -0.838 . . . . 0.0 112.618 -172.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.004 HG22 HG12 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -43.53 -35.17 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 C-N-CA 124.143 0.977 . . . . 0.0 113.324 -174.388 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.9 t60 59.02 77.74 0.29 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.94 0.876 . . . . 0.0 110.731 -173.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.74 117.49 2.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.905 0.86 . . . . 0.0 110.914 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 77.2 p -100.64 39.46 1.37 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.936 0.874 . . . . 0.0 111.037 -175.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 12' ' ' SER . 2.2 ttmt 53.52 40.55 31.55 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.975 0.893 . . . . 0.0 111.02 176.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.47 ' HB3' ' O ' ' A' ' 11' ' ' LYS . 93.6 p 174.63 42.97 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.026 0.917 . . . . 0.0 111.082 -175.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.34 129.34 4.04 Favored Glycine 0 C--N 1.32 -0.347 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.651 ' O ' HG12 ' A' ' 16' ' ' VAL . 0.5 OUTLIER -93.0 -83.94 0.3 Allowed 'General case' 0 C--N 1.32 -0.697 0 O-C-N 122.028 -0.689 . . . . 0.0 111.194 177.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.728 ' HA ' HG21 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -33.97 -43.17 0.14 Allowed 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 124.635 1.174 . . . . 0.0 113.478 -173.357 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.004 HG12 HG22 ' A' ' 7' ' ' VAL . 5.9 p 47.76 70.41 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.379 0.609 . . . . 0.0 112.636 173.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.931 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 1.8 t30 -79.53 140.55 37.2 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.406 -0.809 . . . . 0.0 109.29 172.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -80.94 -35.65 31.99 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.648 0.737 . . . . 0.0 111.361 -173.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.04 -38.86 39.25 Favored Glycine 0 N--CA 1.462 0.394 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 174.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.931 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -74.11 -13.32 60.81 Favored 'General case' 0 C--O 1.243 0.744 0 O-C-N 122.115 -0.638 . . . . 0.0 112.166 174.618 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.458 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . . . -82.76 -22.29 34.39 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.287 -0.883 . . . . 0.0 111.084 174.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -82.57 -28.81 30.69 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.526 -0.734 . . . . 0.0 109.993 171.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -79.05 -27.54 43.12 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.846 0.831 . . . . 0.0 110.236 171.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -84.95 -26.34 27.26 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.619 0.723 . . . . 0.0 110.958 173.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.33 -41.49 30.69 Favored Glycine 0 N--CA 1.467 0.704 0 N-CA-C 108.405 -1.878 . . . . 0.0 108.405 173.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.557 HG12 ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -48.51 -64.12 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 CA-C-O 123.331 1.539 . . . . 0.0 110.654 171.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.557 ' N ' HG12 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -67.87 -26.82 66.21 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.042 -174.606 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -42.23 75.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.109 0.957 . . . . 0.0 110.846 174.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.696 HD23 ' N ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -70.49 -37.37 74.19 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.006 0.908 . . . . 0.0 110.934 174.793 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.88 23.94 3.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.016 -175.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -92.79 24.87 3.39 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 121.468 -0.77 . . . . 0.0 112.074 174.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -111.4 -58.04 0.47 Allowed Glycine 0 N--CA 1.462 0.432 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 137.3 -58.18 0.65 Allowed Glycine 0 C--N 1.32 -0.338 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -137.09 30.94 2.7 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 121.947 -0.737 . . . . 0.0 111.495 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -119.69 50.04 0.84 Allowed Glycine 0 C--N 1.319 -0.371 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.576 ' HD2' ' CE3' ' A' ' 37' ' ' TRP . 49.6 t80 -121.22 -49.03 2.19 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.154 0.978 . . . . 0.0 111.0 177.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.576 ' CE3' ' HD2' ' A' ' 36' ' ' PHE . 4.0 m95 . . . . . 1 C--O 1.38 7.957 0 CA-C-O 121.99 0.9 . . . . 0.0 110.949 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.4 ' HE3' ' HB3' ' A' ' 1' ' ' LYS . 13.4 mtpt . . . . . 0 CA--C 1.511 -0.538 0 CA-C-O 122.174 0.988 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.64 43.07 1.12 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.322 1.058 . . . . 0.0 110.919 175.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -95.63 18.38 13.01 Favored 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 123.875 0.87 . . . . 0.0 111.969 -173.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.63 -102.03 0.21 Allowed Glycine 0 N--CA 1.464 0.519 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -174.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -167.06 34.13 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.997 0.903 . . . . 0.0 111.392 177.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.16 -25.19 73.47 Favored Glycine 0 C--O 1.241 0.56 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.607 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.523 ' HA ' HG21 ' A' ' 16' ' ' VAL . 38.2 t -52.75 -43.62 45.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 121.53 -0.983 . . . . 0.0 111.391 -175.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 60.36 65.24 1.09 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.986 0.898 . . . . 0.0 110.983 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.6 t -101.71 89.41 3.68 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.794 0.807 . . . . 0.0 110.949 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.7 p -145.1 44.11 1.33 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.681 0.753 . . . . 0.0 111.49 -174.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.716 ' O ' ' HB3' ' A' ' 12' ' ' SER . 0.0 OUTLIER -143.36 29.06 1.45 Allowed 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.603 -0.685 . . . . 0.0 111.778 174.558 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.716 ' HB3' ' O ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER 88.11 -38.86 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 124.62 1.168 . . . . 0.0 110.946 -174.522 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.84 160.54 24.9 Favored Glycine 0 N--CA 1.464 0.514 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 174.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 15' ' ' SER . 4.0 m -82.47 -135.72 0.04 OUTLIER 'General case' 0 C--O 1.246 0.883 0 O-C-N 121.73 -0.865 . . . . 0.0 110.093 -174.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.473 ' HB2' ' O ' ' A' ' 14' ' ' CYS . 7.6 t 177.49 -36.67 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.786 0 O-C-N 121.1 -1.0 . . . . 0.0 111.342 -174.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.523 HG21 ' HA ' ' A' ' 7' ' ' VAL . 67.5 t -58.06 98.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.854 0.835 . . . . 0.0 111.18 -174.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.882 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 8.1 t-20 -74.36 146.2 43.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.65 0.738 . . . . 0.0 110.61 174.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.7 m95 -98.28 -28.89 13.48 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.716 0.769 . . . . 0.0 111.341 -174.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.68 -43.23 12.15 Favored Glycine 0 N--CA 1.462 0.382 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 174.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.882 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 2.3 mm-40 -67.98 -21.86 65.04 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 122.125 -0.632 . . . . 0.0 111.573 174.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . -78.25 -22.46 48.34 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.453 -0.779 . . . . 0.0 111.764 176.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -79.73 -31.13 41.09 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.412 -0.805 . . . . 0.0 110.063 173.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.594 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 1.5 t -78.16 -27.05 48.01 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.702 0.763 . . . . 0.0 110.403 172.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -85.55 -23.07 27.82 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.312 0.577 . . . . 0.0 111.626 174.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.5 -45.17 7.5 Favored Glycine 0 N--CA 1.466 0.689 0 N-CA-C 109.049 -1.62 . . . . 0.0 109.049 174.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 t -54.89 -40.18 51.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 122.906 1.336 . . . . 0.0 110.176 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.594 ' HB2' ' O ' ' A' ' 23' ' ' SER . 6.5 t-80 -61.49 -40.6 95.16 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.99 174.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.12 -51.26 66.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.07 0.938 . . . . 0.0 110.945 177.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -62.62 -33.83 75.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.56 0.695 . . . . 0.0 110.997 174.716 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 27' ' ' HIS . . . -51.4 -31.21 21.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.552 0.691 . . . . 0.0 111.5 -175.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -60.18 -55.95 27.53 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.921 0.867 . . . . 0.0 110.978 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.12 -63.16 5.41 Favored Glycine 0 C--N 1.32 -0.35 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.4 85.47 0.23 Allowed Glycine 0 C--N 1.32 -0.347 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.47 -66.66 0.89 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.038 0.923 . . . . 0.0 111.0 -175.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.08 83.14 1.45 Allowed Glycine 0 C--N 1.32 -0.31 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -176.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -132.64 -46.29 0.88 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.331 1.062 . . . . 0.0 110.97 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 1 C--O 1.379 7.908 0 CA-C-O 121.986 0.898 . . . . 0.0 110.835 175.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.579 0 CA-C-O 121.906 0.86 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -142.13 42.65 1.67 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.975 0.893 . . . . 0.0 111.054 176.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.583 ' N ' ' HD1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -95.78 41.68 1.1 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.991 0.9 . . . . 0.0 110.746 178.455 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.25 136.47 2.16 Favored Glycine 0 C--N 1.32 -0.323 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -174.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.9 -33.03 74.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.729 0.776 . . . . 0.0 111.444 179.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.53 -13.49 58.65 Favored Glycine 0 C--O 1.242 0.62 0 O-C-N 121.752 -0.592 . . . . 0.0 113.931 -175.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 7' ' ' VAL . 48.7 t -98.36 52.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 O-C-N 121.21 -1.17 . . . . 0.0 110.957 -174.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -94.38 54.52 1.85 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.682 1.23 . . . . 0.0 110.67 174.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 64.2 m -44.65 103.6 0.04 OUTLIER 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.734 174.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 p -73.87 -96.75 0.01 OUTLIER 'General case' 0 C--O 1.242 0.705 0 O-C-N 121.684 -0.635 . . . . 0.0 111.509 -173.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.54 25.16 1.86 Allowed 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.275 -0.89 . . . . 0.0 111.679 -174.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.4 t -157.74 32.37 0.26 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.176 0.989 . . . . 0.0 110.66 -174.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.71 -148.74 18.93 Favored Glycine 0 C--N 1.321 -0.293 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -174.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.9 m -129.17 -71.55 0.62 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.008 0.909 . . . . 0.0 110.984 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.51 43.56 30.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.048 0.928 . . . . 0.0 110.996 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.75 115.56 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 122.037 0.922 . . . . 0.0 110.964 -174.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.768 ' HB3' ' HB3' ' A' ' 20' ' ' GLU . 57.1 t-20 -96.29 139.14 32.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.958 0.885 . . . . 0.0 110.974 176.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 40.9 m95 -87.99 -41.09 13.37 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.84 0.828 . . . . 0.0 111.178 -174.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.44 -41.87 83.65 Favored Glycine 0 C--N 1.32 -0.359 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 174.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.768 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . 2.0 tp10 -64.27 -31.73 73.04 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.968 0.89 . . . . 0.0 111.004 174.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . -73.34 -21.46 60.54 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.225 0.536 . . . . 0.0 111.625 178.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.432 ' O ' HG23 ' A' ' 26' ' ' VAL . 48.3 t80 -79.15 -30.48 43.62 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 121.451 -0.781 . . . . 0.0 110.107 173.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.816 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 4.2 t -77.34 -27.17 52.64 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.649 0.738 . . . . 0.0 110.349 172.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.433 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -84.88 -24.19 28.61 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.329 0.585 . . . . 0.0 111.471 174.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.411 ' HA2' ' HB2' ' A' ' 28' ' ' ARG . . . -82.31 -42.02 8.88 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 176.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 22' ' ' PHE . 8.2 t -60.06 -38.09 75.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 122.988 1.375 . . . . 0.0 110.352 171.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.816 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.6 OUTLIER -77.13 -17.03 58.93 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.891 174.846 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.411 ' HB2' ' HA2' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -77.8 -45.61 23.99 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.199 -0.938 . . . . 0.0 110.98 173.357 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.56 HD23 ' N ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -63.24 -55.38 25.41 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.927 0.87 . . . . 0.0 110.997 177.878 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.732 ' HB2' ' C ' ' A' ' 34' ' ' ASN . . . -48.68 -62.16 1.65 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.439 1.114 . . . . 0.0 110.859 174.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 t30 50.82 18.74 0.54 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.166 0.984 . . . . 0.0 111.917 -175.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 152.15 42.89 0.02 OUTLIER Glycine 0 N--CA 1.462 0.428 0 O-C-N 120.927 -1.108 . . . . 0.0 110.84 -174.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.487 ' C ' ' HB1' ' A' ' 30' ' ' ALA . . . 164.51 -114.93 0.62 Allowed Glycine 0 C--N 1.32 -0.319 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -174.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.732 ' C ' ' HB2' ' A' ' 30' ' ' ALA . 1.9 m120 -138.95 -58.23 0.61 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.941 0.876 . . . . 0.0 111.054 -175.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.85 62.6 1.75 Allowed Glycine 0 C--N 1.32 -0.361 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 177.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -99.2 -17.07 18.32 Favored 'General case' 0 C--O 1.244 0.779 0 O-C-N 122.031 -0.687 . . . . 0.0 112.401 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.1 m95 . . . . . 1 C--O 1.381 7.994 0 O-C-N 121.284 -0.885 . . . . 0.0 110.878 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 2' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.494 0 CA-C-O 122.865 1.317 . . . . 0.0 111.0 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 1' ' ' LYS . 52.8 m-85 78.02 -12.08 1.12 Allowed 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 124.805 1.242 . . . . 0.0 114.021 -176.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 25.23 39.79 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 126.003 1.721 . . . . 0.0 114.463 -174.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 35.66 59.6 0.85 Allowed Glycine 0 C--O 1.24 0.519 0 C-N-CA 124.032 0.825 . . . . 0.0 114.256 174.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -81.17 -90.01 0.07 Allowed 'General case' 0 C--N 1.319 -0.735 0 O-C-N 121.444 -1.033 . . . . 0.0 111.6 -173.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.75 34.91 0.3 Allowed Glycine 0 N--CA 1.461 0.365 0 O-C-N 121.429 -0.794 . . . . 0.0 111.311 -174.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.45 HG12 ' HB3' ' A' ' 14' ' ' CYS . 2.6 t -57.96 -22.2 18.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 O-C-N 121.881 -0.776 . . . . 0.0 111.465 174.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.3 t60 68.75 65.26 0.31 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.095 0.95 . . . . 0.0 110.783 174.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.2 m -90.35 -177.87 5.21 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.073 0.94 . . . . 0.0 110.988 174.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -161.08 -56.87 0.05 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.965 0.888 . . . . 0.0 111.003 174.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -117.34 -103.84 0.41 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.712 0.768 . . . . 0.0 109.99 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 p -91.03 -38.42 12.82 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.853 0.835 . . . . 0.0 111.193 -174.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.66 177.04 20.41 Favored Glycine 0 C--N 1.32 -0.326 0 CA-C-O 122.074 0.819 . . . . 0.0 111.283 -174.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.45 ' HB3' HG12 ' A' ' 7' ' ' VAL . 95.3 m -129.01 -68.73 0.73 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.116 0.96 . . . . 0.0 110.996 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m 63.94 85.38 0.14 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.002 0.906 . . . . 0.0 110.978 175.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.7 p -107.19 65.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.99 0.9 . . . . 0.0 111.048 -175.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.894 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 43.7 t-20 -55.03 119.41 5.41 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.893 0.854 . . . . 0.0 110.853 174.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -69.59 -35.7 75.55 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.909 0.861 . . . . 0.0 111.151 -174.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.33 -37.12 92.55 Favored Glycine 0 C--N 1.32 -0.314 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 175.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.894 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -66.24 -24.92 66.68 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 122.021 -0.694 . . . . 0.0 111.609 176.306 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.63 -29.03 59.03 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.465 -0.772 . . . . 0.0 111.168 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.453 ' O ' HG23 ' A' ' 26' ' ' VAL . 16.0 t80 -75.83 -27.41 57.86 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.62 -0.675 . . . . 0.0 110.3 173.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.527 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -78.23 -27.8 47.77 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.923 0.868 . . . . 0.0 110.355 172.248 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.52 -23.37 34.63 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.667 174.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.5 ' O ' ' HB3' ' A' ' 28' ' ' ARG . . . -83.76 -44.04 6.99 Favored Glycine 0 N--CA 1.466 0.673 0 N-CA-C 109.169 -1.573 . . . . 0.0 109.169 174.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 22' ' ' PHE . 4.2 t -55.66 -36.81 43.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 122.033 0.921 . . . . 0.0 110.487 172.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.527 ' HB2' ' O ' ' A' ' 23' ' ' SER . 41.0 t-80 -75.45 -31.89 60.45 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.988 0.899 . . . . 0.0 110.928 177.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.5 ' HB3' ' O ' ' A' ' 25' ' ' GLY . 2.5 ttm180 -54.44 -44.35 72.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.021 0.915 . . . . 0.0 110.967 174.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.461 HD23 ' N ' ' A' ' 29' ' ' LEU . 2.5 mt -75.06 -33.08 61.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.811 0.815 . . . . 0.0 111.28 174.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.93 -31.36 39.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.829 0.824 . . . . 0.0 111.204 -177.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -66.31 -48.15 71.25 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.019 0.914 . . . . 0.0 110.985 175.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -105.61 52.68 0.69 Allowed Glycine 0 C--N 1.321 -0.301 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 174.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.54 104.39 0.17 Allowed Glycine 0 C--N 1.32 -0.324 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -67.12 -72.0 0.18 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.024 0.916 . . . . 0.0 110.994 176.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -133.17 42.35 1.38 Allowed Glycine 0 C--N 1.32 -0.34 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 175.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -135.52 14.89 3.43 Favored 'General case' 0 C--O 1.242 0.687 0 O-C-N 121.913 -0.757 . . . . 0.0 112.386 175.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.6 m-90 . . . . . 1 C--O 1.382 8.035 0 CA-C-O 121.888 0.851 . . . . 0.0 111.793 -175.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.773 ' HB3' ' CD1' ' A' ' 2' ' ' TYR . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.564 0 CA-C-O 121.869 0.842 . . . . 0.0 110.97 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.773 ' CD1' ' HB3' ' A' ' 1' ' ' LYS . 0.9 OUTLIER 53.43 45.61 27.96 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.339 1.066 . . . . 0.0 110.777 179.122 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -87.06 20.51 2.65 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.746 178.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.49 -31.79 60.47 Favored Glycine 0 N--CA 1.464 0.525 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 174.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -73.01 -56.03 5.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.058 0.932 . . . . 0.0 110.936 174.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.61 72.42 0.27 Allowed Glycine 0 C--N 1.32 -0.306 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.626 HG22 HG12 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -102.77 -35.52 3.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 122.039 0.923 . . . . 0.0 110.996 178.812 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.4 t60 57.56 60.67 2.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.101 0.953 . . . . 0.0 110.947 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -58.38 116.64 3.75 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.235 1.017 . . . . 0.0 110.711 -179.382 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.47 -162.83 0.94 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.046 0.927 . . . . 0.0 111.043 176.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -103.81 38.15 1.89 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.039 0.923 . . . . 0.0 110.93 175.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.72 44.71 0.06 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.105 0.955 . . . . 0.0 110.854 174.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.65 134.94 4.1 Favored Glycine 0 N--CA 1.462 0.386 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 -174.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.442 ' O ' HG22 ' A' ' 7' ' ' VAL . 93.3 m -133.55 -58.35 0.88 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.049 0.928 . . . . 0.0 111.562 -174.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.7 m -85.81 85.97 7.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.236 1.017 . . . . 0.0 111.048 -175.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.626 HG12 HG22 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -79.45 148.96 5.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 122.015 0.912 . . . . 0.0 111.048 177.138 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -94.43 102.17 14.12 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.954 0.883 . . . . 0.0 110.974 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -80.72 -31.92 35.94 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.89 0.852 . . . . 0.0 111.126 -174.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.93 -41.89 95.14 Favored Glycine 0 N--CA 1.461 0.318 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 175.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.65 -33.28 73.68 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.97 0.89 . . . . 0.0 111.009 177.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.59 -25.75 63.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.452 0.644 . . . . 0.0 111.167 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.478 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -75.39 -27.52 59.11 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.55 -0.719 . . . . 0.0 110.322 173.214 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 t -77.71 -28.32 50.9 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.914 0.864 . . . . 0.0 110.39 172.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.64 -25.17 33.37 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.337 0.589 . . . . 0.0 111.625 174.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.82 -41.92 9.33 Favored Glycine 0 N--CA 1.466 0.641 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 174.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 22' ' ' PHE . 2.6 t -54.02 -41.22 49.05 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.496 0 CA-C-O 122.038 0.923 . . . . 0.0 110.612 172.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -34.6 72.72 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.015 0.912 . . . . 0.0 110.988 177.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.482 ' HB3' HD23 ' A' ' 29' ' ' LEU . 21.4 ttp85 -51.57 -45.2 62.99 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.008 0.908 . . . . 0.0 110.987 175.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' ' 29' ' ' LEU . 1.6 mt -85.21 -34.88 21.93 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.926 0.87 . . . . 0.0 111.181 -176.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.36 -3.67 15.12 Favored 'General case' 0 C--O 1.244 0.791 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -48.48 -33.77 10.0 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.149 -0.97 . . . . 0.0 111.413 174.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.15 -92.61 1.13 Allowed Glycine 0 C--N 1.32 -0.315 0 CA-C-O 122.068 0.816 . . . . 0.0 111.068 -175.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.06 167.94 34.2 Favored Glycine 0 CA--C 1.509 -0.307 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -175.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -62.11 -38.7 89.9 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.945 0.878 . . . . 0.0 110.961 -177.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -127.77 -99.52 1.02 Allowed Glycine 0 C--N 1.32 -0.348 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -175.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.598 ' HB3' ' CE3' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -109.36 -43.74 4.06 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.997 0.903 . . . . 0.0 111.002 -178.67 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.598 ' CE3' ' HB3' ' A' ' 36' ' ' PHE . 1.0 OUTLIER . . . . . 1 C--O 1.38 7.959 0 CA-C-O 121.981 0.896 . . . . 0.0 111.005 -175.834 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.513 -0.447 0 CA-C-O 122.926 1.346 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.981 ' HB3' HG21 ' A' ' 7' ' ' VAL . 9.2 p90 -174.77 61.02 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.854 1.311 . . . . 0.0 109.769 178.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -94.47 22.05 6.54 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 124.467 1.107 . . . . 0.0 112.434 -171.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.48 -13.27 20.91 Favored Glycine 0 C--O 1.242 0.637 0 O-C-N 121.254 -0.904 . . . . 0.0 112.737 -173.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -47.23 -60.43 2.49 Favored 'General case' 0 C--N 1.318 -0.773 0 O-C-N 121.355 -1.085 . . . . 0.0 111.669 176.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.59 77.26 0.02 OUTLIER Glycine 0 C--N 1.32 -0.31 0 CA-C-O 122.018 0.788 . . . . 0.0 111.617 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.981 HG21 ' HB3' ' A' ' 2' ' ' TYR . 2.4 t -89.15 -25.24 5.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 O-C-N 122.027 -0.69 . . . . 0.0 111.185 174.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.7 t60 60.78 59.95 2.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.906 0.86 . . . . 0.0 110.695 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.0 m -47.29 147.75 1.48 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.865 0.84 . . . . 0.0 111.017 174.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.7 p -145.3 -159.65 1.03 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.695 0.759 . . . . 0.0 110.888 178.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.484 ' H ' ' HG3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -99.37 36.76 1.68 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.026 0.917 . . . . 0.0 110.888 174.638 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -136.28 -43.4 0.63 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.073 0.94 . . . . 0.0 110.84 174.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 165.62 159.24 11.46 Favored Glycine 0 C--N 1.32 -0.326 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 174.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.627 ' HB3' HG11 ' A' ' 7' ' ' VAL . 57.7 m -90.8 -140.37 0.16 Allowed 'General case' 0 C--O 1.246 0.911 0 O-C-N 121.961 -0.729 . . . . 0.0 109.816 174.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.75 81.62 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.797 0 O-C-N 121.498 -0.751 . . . . 0.0 111.847 -177.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.542 ' CG1' ' CE2' ' A' ' 18' ' ' TRP . 99.6 t -137.15 91.78 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.687 0.755 . . . . 0.0 112.511 -174.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.42 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 60.9 t30 -83.51 -9.93 58.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.487 0.661 . . . . 0.0 111.96 171.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.542 ' CE2' ' CG1' ' A' ' 16' ' ' VAL . 72.7 m95 58.74 -7.96 0.04 OUTLIER 'General case' 0 C--O 1.249 1.067 0 N-CA-C 117.476 2.399 . . . . 0.0 117.476 -172.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.85 -37.63 2.52 Favored Glycine 0 C--N 1.315 -0.633 0 CA-C-O 123.799 1.777 . . . . 0.0 108.85 171.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 3.3 mt-10 -79.21 -13.54 59.63 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-N 114.141 -1.029 . . . . 0.0 111.397 172.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.55 -31.08 47.25 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.026 0.917 . . . . 0.0 110.572 173.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.451 ' O ' HG23 ' A' ' 26' ' ' VAL . 79.8 t80 -77.02 -29.09 55.2 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.53 0.681 . . . . 0.0 110.217 173.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.817 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -77.9 -27.19 49.5 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.019 0.914 . . . . 0.0 110.336 171.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.75 -23.62 33.9 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.26 0.552 . . . . 0.0 111.679 174.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.424 ' O ' ' HB3' ' A' ' 28' ' ' ARG . . . -83.74 -44.6 6.74 Favored Glycine 0 N--CA 1.466 0.646 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 174.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 22' ' ' PHE . 5.4 t -55.69 -37.19 45.52 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 CA-C-O 122.086 0.946 . . . . 0.0 110.553 172.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.817 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -78.46 -30.34 47.38 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.952 0.882 . . . . 0.0 111.016 179.435 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.437 ' HG3' HD23 ' A' ' 29' ' ' LEU . 11.3 tpt180 -56.4 -39.95 73.85 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.996 0.903 . . . . 0.0 110.923 174.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.626 HD23 ' N ' ' A' ' 29' ' ' LEU . 1.3 mt -84.64 -29.93 25.32 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.712 0.768 . . . . 0.0 111.196 175.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.618 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . . . -90.81 21.97 3.83 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 121.82 -0.55 . . . . 0.0 112.311 178.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -69.99 -39.04 76.15 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.957 0.884 . . . . 0.0 110.94 174.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.42 -48.43 1.55 Allowed Glycine 0 C--N 1.32 -0.335 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -178.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.82 84.43 0.4 Allowed Glycine 0 C--N 1.32 -0.356 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.85 -65.82 0.96 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.056 0.931 . . . . 0.0 111.033 176.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -126.64 50.38 0.88 Allowed Glycine 0 N--CA 1.46 0.3 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.618 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 4.4 t80 -90.4 -31.76 16.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.591 0.71 . . . . 0.0 111.232 -179.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 1 C--O 1.379 7.918 0 CA-C-O 121.931 0.872 . . . . 0.0 110.833 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt . . . . . 0 CA--C 1.51 -0.584 0 CA-C-O 121.942 0.877 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -169.29 60.46 0.05 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.925 0.869 . . . . 0.0 110.992 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.443 ' C ' ' HD1' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -96.55 26.31 4.52 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.547 0.689 . . . . 0.0 111.37 -179.509 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.32 -78.17 0.06 OUTLIER Glycine 0 N--CA 1.462 0.404 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -174.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -148.94 132.37 16.63 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.287 1.041 . . . . 0.0 111.487 -175.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.427 ' O ' HG23 ' A' ' 7' ' ' VAL . . . 143.16 -16.69 2.33 Favored Glycine 0 C--N 1.32 -0.318 0 CA-C-N 115.694 -0.685 . . . . 0.0 114.673 173.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 6' ' ' GLY . 78.8 t -166.37 -61.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 122.462 1.125 . . . . 0.0 110.64 -174.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.8 t60 62.84 85.36 0.13 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 122.059 0.933 . . . . 0.0 111.065 -174.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.9 m -118.15 90.55 3.36 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.959 0.885 . . . . 0.0 110.839 174.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.2 m -55.69 -78.2 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.883 0.849 . . . . 0.0 111.262 -174.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.7 -36.85 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.852 1.31 . . . . 0.0 112.914 -174.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.3 t -75.96 -31.99 59.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.596 -1.183 . . . . 0.0 110.941 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 165.18 143.51 3.75 Favored Glycine 0 C--N 1.32 -0.324 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 174.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 95.5 m -65.99 -83.69 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.894 -0.769 . . . . 0.0 110.906 -176.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.7 m 52.91 32.83 13.23 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.887 0.851 . . . . 0.0 111.23 175.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -54.86 124.96 8.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.98 0.895 . . . . 0.0 110.951 -176.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.789 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 13.7 t-20 -81.69 136.66 35.48 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.001 0.905 . . . . 0.0 111.013 177.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -90.13 -28.26 19.07 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.781 0.8 . . . . 0.0 111.325 -174.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.39 -33.62 34.73 Favored Glycine 0 N--CA 1.462 0.37 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 174.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.789 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -74.48 -27.22 60.48 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 122.058 -0.672 . . . . 0.0 111.31 175.364 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . . . -78.02 -28.42 49.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.566 0.698 . . . . 0.0 111.314 176.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.449 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.4 t80 -76.83 -28.55 55.55 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.622 0.725 . . . . 0.0 110.208 173.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.687 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -78.64 -27.7 45.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.784 0.802 . . . . 0.0 110.332 172.442 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -82.33 -23.81 34.92 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.339 0.59 . . . . 0.0 111.533 174.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.97 -45.08 6.82 Favored Glycine 0 N--CA 1.467 0.719 0 N-CA-C 109.081 -1.607 . . . . 0.0 109.081 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.507 HG13 ' HE2' ' A' ' 36' ' ' PHE . 6.6 t -56.07 -33.27 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 122.515 1.15 . . . . 0.0 110.452 172.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.687 ' HB2' ' O ' ' A' ' 23' ' ' SER . 1.2 t-80 -72.01 -36.71 69.8 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.966 0.889 . . . . 0.0 111.019 174.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.09 -57.62 10.4 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.121 0.962 . . . . 0.0 110.727 176.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -59.46 -38.59 81.17 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.098 0.952 . . . . 0.0 110.942 174.526 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' A' ' 27' ' ' HIS . . . -63.07 -19.5 64.46 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.203 -175.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -51.77 -37.11 49.98 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.358 -0.838 . . . . 0.0 111.4 -177.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.14 -77.2 0.18 Allowed Glycine 0 C--N 1.32 -0.356 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.16 -154.71 2.84 Favored Glycine 0 C--N 1.32 -0.358 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -82.6 -77.58 0.23 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.0 0.905 . . . . 0.0 110.977 177.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -125.88 -97.01 1.06 Allowed Glycine 0 C--N 1.32 -0.33 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -175.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.507 ' HE2' HG13 ' A' ' 26' ' ' VAL . 1.1 t80 -134.74 -59.58 0.8 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.514 1.15 . . . . 0.0 110.934 -177.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 1 C--O 1.38 7.942 0 CA-C-O 122.021 0.915 . . . . 0.0 111.005 179.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.497 ' HB3' ' CD1' ' A' ' 2' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.563 0 CA-C-O 121.907 0.86 . . . . 0.0 111.113 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.497 ' CD1' ' HB3' ' A' ' 1' ' ' LYS . 0.0 OUTLIER 61.97 53.94 2.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.886 1.327 . . . . 0.0 109.92 -178.856 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -92.17 18.03 8.73 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 124.082 0.953 . . . . 0.0 112.73 -171.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.45 85.95 0.02 OUTLIER Glycine 0 C--N 1.319 -0.385 0 O-C-N 121.327 -0.858 . . . . 0.0 112.188 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -88.41 -38.55 14.97 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.27 1.033 . . . . 0.0 110.638 174.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -148.39 31.54 1.27 Allowed Glycine 0 C--N 1.32 -0.323 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 174.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.645 HG13 ' HB ' ' A' ' 16' ' ' VAL . 48.8 t -99.01 -67.8 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 122.079 0.942 . . . . 0.0 110.884 -174.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.3 t60 60.01 80.04 0.22 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.032 0.92 . . . . 0.0 111.336 174.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.46 117.62 6.42 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.457 0.646 . . . . 0.0 110.605 174.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.83 -85.07 0.57 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.754 0.787 . . . . 0.0 111.945 -173.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.528 ' HG2' ' H ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -96.46 -101.41 0.18 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.826 0.822 . . . . 0.0 110.447 -173.563 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.9 m -47.57 -26.13 1.36 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.931 -174.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.16 -141.48 8.54 Favored Glycine 0 N--CA 1.462 0.373 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 174.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.4 m -94.41 -88.35 0.24 Allowed 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.864 -0.786 . . . . 0.0 110.652 174.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m 48.64 55.98 8.27 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.854 0.835 . . . . 0.0 111.217 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.645 ' HB ' HG13 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -52.93 106.57 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 122.015 0.912 . . . . 0.0 111.174 -174.624 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -51.53 101.44 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.982 0.896 . . . . 0.0 111.005 174.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -64.6 -25.54 68.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.491 0.662 . . . . 0.0 111.416 -174.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.86 -48.74 81.88 Favored Glycine 0 N--CA 1.461 0.321 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 174.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -62.94 -34.31 77.2 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.837 0.827 . . . . 0.0 111.065 -177.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.79 -24.15 61.69 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.444 0.64 . . . . 0.0 111.304 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.7 t80 -76.13 -28.33 57.39 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.521 -0.737 . . . . 0.0 110.282 173.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.605 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 1.2 t -77.81 -28.43 50.32 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.908 0.861 . . . . 0.0 110.375 172.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.3 -22.49 32.94 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.185 0.517 . . . . 0.0 111.783 174.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' A' ' 28' ' ' ARG . . . -83.84 -43.77 7.07 Favored Glycine 0 N--CA 1.466 0.66 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 174.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 22' ' ' PHE . 4.8 t -56.01 -36.44 44.65 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 CA-C-O 122.236 1.017 . . . . 0.0 110.531 172.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.605 ' HB2' ' O ' ' A' ' 23' ' ' SER . 1.2 t-80 -69.34 -38.42 78.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.012 0.911 . . . . 0.0 110.904 174.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.526 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 12.1 mtp180 -52.48 -52.49 54.12 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.995 0.902 . . . . 0.0 111.002 175.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.586 HD23 ' N ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -73.42 -33.51 64.98 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.793 0.806 . . . . 0.0 111.259 178.085 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 26' ' ' VAL . . . -54.94 -27.33 42.69 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.787 -0.571 . . . . 0.0 111.823 -175.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -52.69 -41.86 64.28 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.804 0.811 . . . . 0.0 111.412 -174.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.99 -54.27 38.89 Favored Glycine 0 C--N 1.319 -0.37 0 CA-C-O 121.912 0.729 . . . . 0.0 111.298 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.15 -152.74 24.82 Favored Glycine 0 C--N 1.32 -0.331 0 CA-C-O 122.071 0.817 . . . . 0.0 111.237 -174.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -114.05 -34.14 5.48 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.822 0.82 . . . . 0.0 111.138 176.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -118.5 -98.39 1.87 Allowed Glycine 0 N--CA 1.461 0.33 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -174.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -115.93 -62.32 1.61 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.48 1.133 . . . . 0.0 110.967 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 . . . . . 1 C--O 1.38 7.939 0 CA-C-O 122.003 0.906 . . . . 0.0 111.029 -177.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.509 -0.603 0 CA-C-O 122.197 0.998 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.508 ' H ' ' HD1' ' A' ' 2' ' ' TYR . 1.5 p90 -70.84 -5.18 28.48 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 175.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.76 ' O ' HG22 ' A' ' 7' ' ' VAL . 5.3 p90 -106.83 34.96 3.17 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 122.004 0.907 . . . . 0.0 110.963 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -17.24 -105.3 0.0 OUTLIER Glycine 0 CA--C 1.506 -0.501 0 N-CA-C 117.843 1.897 . . . . 0.0 117.843 -173.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.12 137.96 35.93 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 121.323 -1.104 . . . . 0.0 111.309 177.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 97.01 26.95 9.81 Favored Glycine 0 C--O 1.242 0.606 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.643 174.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.76 HG22 ' O ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -85.26 -34.54 8.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 O-C-N 121.361 -1.082 . . . . 0.0 110.839 174.445 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.6 t60 62.52 88.05 0.1 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.054 0.93 . . . . 0.0 111.367 174.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 m -118.48 91.59 3.6 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.534 0.683 . . . . 0.0 110.632 174.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.94 -91.6 0.5 Allowed 'General case' 0 C--N 1.32 -0.684 0 O-C-N 121.649 -0.657 . . . . 0.0 112.148 -173.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' H ' ' HG3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -107.14 34.91 3.24 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.393 -0.817 . . . . 0.0 112.072 -173.181 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.92 60.56 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.009 0.909 . . . . 0.0 110.983 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.18 -168.6 0.7 Allowed Glycine 0 N--CA 1.464 0.501 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -174.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.0 m -68.35 -75.94 0.1 Allowed 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.664 -0.903 . . . . 0.0 110.846 174.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.98 71.33 0.5 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.012 0.91 . . . . 0.0 110.958 178.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 t -81.72 107.41 13.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.959 0.885 . . . . 0.0 111.24 -174.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.624 ' OD1' ' HG3' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -53.12 112.05 0.79 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.874 0.845 . . . . 0.0 110.786 174.446 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -79.48 -27.61 41.52 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.68 0.753 . . . . 0.0 111.444 -174.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.93 -49.51 53.87 Favored Glycine 0 N--CA 1.461 0.337 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 174.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.624 ' HG3' ' OD1' ' A' ' 17' ' ' ASN . 2.6 mm-40 -62.08 -27.89 69.23 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.947 -0.737 . . . . 0.0 111.471 176.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.06 -27.28 61.65 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.612 0.72 . . . . 0.0 111.17 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.461 ' O ' HG23 ' A' ' 26' ' ' VAL . 5.0 t80 -75.83 -27.3 57.83 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.574 0.702 . . . . 0.0 110.332 173.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.4 m -78.47 -28.14 46.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.88 0.848 . . . . 0.0 110.359 172.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.01 -25.02 35.07 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.302 0.573 . . . . 0.0 111.454 174.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.485 ' HA2' ' HB2' ' A' ' 28' ' ' ARG . . . -82.14 -42.86 8.44 Favored Glycine 0 N--CA 1.465 0.632 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 174.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 22' ' ' PHE . 2.6 t -53.35 -38.23 31.44 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.461 0 CA-C-O 122.154 0.978 . . . . 0.0 110.467 172.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -40.12 72.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 122.024 0.916 . . . . 0.0 110.886 174.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.522 ' HB3' HD23 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -50.47 -49.26 55.69 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.961 0.886 . . . . 0.0 111.053 176.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.651 HD23 ' N ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -71.6 -29.96 65.28 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.846 0.831 . . . . 0.0 111.173 179.654 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.64 21.32 4.07 Favored 'General case' 0 C--N 1.32 -0.714 0 O-C-N 121.811 -0.556 . . . . 0.0 112.382 176.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -94.65 -31.22 13.93 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.942 0.877 . . . . 0.0 111.054 174.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.51 -64.37 3.71 Favored Glycine 0 C--N 1.32 -0.358 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 137.1 66.9 0.05 OUTLIER Glycine 0 C--N 1.32 -0.319 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -148.69 -70.05 0.21 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.012 0.91 . . . . 0.0 111.002 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.55 -68.76 0.18 Allowed Glycine 0 N--CA 1.46 0.299 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -155.16 -56.07 0.1 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.406 1.098 . . . . 0.0 110.939 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 1 C--O 1.38 7.928 0 CA-C-O 121.979 0.895 . . . . 0.0 110.95 178.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.585 0 CA-C-O 122.034 0.921 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -156.63 69.17 0.6 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.992 0.901 . . . . 0.0 110.986 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.43 ' N ' ' HD1' ' A' ' 3' ' ' TYR . 0.9 OUTLIER -94.81 40.11 1.1 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.716 0.769 . . . . 0.0 111.294 178.638 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.52 -110.48 0.45 Allowed Glycine 0 C--N 1.319 -0.373 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -157.26 29.12 0.29 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.566 0.698 . . . . 0.0 111.671 -174.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.535 ' O ' HG23 ' A' ' 7' ' ' VAL . . . -136.6 62.96 0.59 Allowed Glycine 0 C--N 1.32 -0.325 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 178.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 6' ' ' GLY . 3.3 t -162.16 -62.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 122.004 0.906 . . . . 0.0 111.067 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.841 ' O ' HG22 ' A' ' 10' ' ' THR . 0.2 OUTLIER 24.44 57.41 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 126.278 1.831 . . . . 0.0 113.66 179.651 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 75.7 m -46.57 98.54 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.707 173.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.841 HG22 ' O ' ' A' ' 8' ' ' HIS . 11.2 t -172.67 28.68 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.848 0.832 . . . . 0.0 111.308 -173.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -148.18 48.92 1.05 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.019 0.914 . . . . 0.0 111.03 -174.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t 63.04 39.74 9.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.977 0.894 . . . . 0.0 110.924 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.04 159.03 9.91 Favored Glycine 0 C--N 1.32 -0.351 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -174.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 77.3 m -86.63 -107.11 0.06 Allowed 'General case' 0 C--O 1.245 0.836 0 O-C-N 121.79 -0.83 . . . . 0.0 110.594 -175.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.12 -45.81 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 122.029 0.919 . . . . 0.0 111.054 -174.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 16' ' ' VAL . 1.2 t -80.1 108.9 14.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 122.108 0.956 . . . . 0.0 111.458 -174.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.966 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -66.41 129.64 40.51 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.922 0.868 . . . . 0.0 111.118 174.515 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -94.76 -39.15 10.43 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.792 0.806 . . . . 0.0 111.203 -175.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.19 -42.14 94.47 Favored Glycine 0 N--CA 1.462 0.383 0 CA-C-O 122.392 0.995 . . . . 0.0 110.696 174.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.966 ' HB2' ' HB2' ' A' ' 17' ' ' ASN . 1.6 mp0 -65.67 -26.87 67.98 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.665 0.745 . . . . 0.0 111.025 174.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.5 -25.52 63.18 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 121.589 -0.694 . . . . 0.0 111.286 174.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.463 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.4 t80 -76.06 -29.63 58.09 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.506 -0.746 . . . . 0.0 110.251 173.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.606 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 2.6 t -76.88 -28.18 55.28 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.814 0.816 . . . . 0.0 110.491 172.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.35 -23.97 32.26 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.263 0.554 . . . . 0.0 111.743 174.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.46 -44.48 7.38 Favored Glycine 0 N--CA 1.466 0.641 0 N-CA-C 109.148 -1.581 . . . . 0.0 109.148 174.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 22' ' ' PHE . 5.6 t -55.45 -35.39 37.38 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 CA-C-O 122.453 1.121 . . . . 0.0 110.392 172.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.606 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -69.47 -36.98 77.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.013 0.911 . . . . 0.0 110.896 174.627 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.4 -58.32 7.54 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.122 0.963 . . . . 0.0 110.86 174.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 pp -61.96 -33.42 74.27 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.684 0.754 . . . . 0.0 111.302 175.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.51 27.54 3.78 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.353 0.597 . . . . 0.0 112.006 -174.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -49.24 -30.27 6.93 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.937 0.875 . . . . 0.0 111.057 174.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -111.73 -97.16 2.35 Favored Glycine 0 N--CA 1.461 0.3 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.433 ' O ' ' HB2' ' A' ' 34' ' ' ASN . . . 54.98 -113.44 3.63 Favored Glycine 0 C--N 1.321 -0.304 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 174.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 11.4 t-20 175.54 -74.3 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.95 0.881 . . . . 0.0 111.124 -176.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.48 -94.27 2.08 Favored Glycine 0 C--N 1.319 -0.37 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -153.32 -52.27 0.1 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.294 1.045 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.7 p90 . . . . . 1 C--O 1.38 7.958 0 CA-C-O 121.935 0.874 . . . . 0.0 111.137 177.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.595 0 CA-C-O 121.763 0.792 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.631 ' O ' ' HD1' ' A' ' 3' ' ' TYR . 1.8 m-85 -112.47 -21.27 11.42 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -177.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.631 ' HD1' ' O ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER 21.58 55.12 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 126.019 1.728 . . . . 0.0 113.088 179.045 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.493 ' N ' HG23 ' A' ' 7' ' ' VAL . . . -171.58 -70.83 0.04 OUTLIER Glycine 0 CA--C 1.508 -0.382 0 CA-C-O 121.857 0.698 . . . . 0.0 113.245 174.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.12 -73.02 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.689 0.756 . . . . 0.0 112.061 -173.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.06 -12.51 79.28 Favored Glycine 0 C--O 1.243 0.668 0 N-CA-C 114.444 0.537 . . . . 0.0 114.444 -173.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 4' ' ' GLY . 50.1 t -50.64 -37.2 15.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 O-C-N 121.294 -1.121 . . . . 0.0 111.961 -174.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 48.93 73.81 0.21 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.132 0.968 . . . . 0.0 111.819 175.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.572 ' HB3' ' O ' ' A' ' 13' ' ' GLY . 56.3 m -84.81 93.61 8.52 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.66 174.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.0 p -119.31 103.26 9.33 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.213 1.006 . . . . 0.0 112.131 -173.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.583 ' O ' ' HB2' ' A' ' 12' ' ' SER . 0.0 OUTLIER 45.7 54.6 7.58 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.045 0.926 . . . . 0.0 112.37 173.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.583 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 1.4 t 168.3 42.61 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.854 0.835 . . . . 0.0 110.699 -175.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.572 ' O ' ' HB3' ' A' ' 9' ' ' CYS . . . 54.55 -119.57 12.92 Favored Glycine 0 N--CA 1.465 0.612 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 -173.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.1 m -134.06 -74.69 0.48 Allowed 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.089 -0.653 . . . . 0.0 110.537 173.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m 47.41 26.71 0.8 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.682 0.753 . . . . 0.0 111.857 174.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.685 HG13 ' CZ2' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -69.81 138.17 22.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 122.071 0.939 . . . . 0.0 111.132 -174.449 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.679 HD22 ' HB2' ' A' ' 20' ' ' GLU . 2.6 t30 -74.96 129.37 37.53 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.959 0.885 . . . . 0.0 111.054 175.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.685 ' CZ2' HG13 ' A' ' 16' ' ' VAL . 33.3 m95 -101.21 -22.74 14.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.326 0.584 . . . . 0.0 111.71 -175.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.2 -50.78 15.67 Favored Glycine 0 N--CA 1.462 0.371 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 174.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.679 ' HB2' HD22 ' A' ' 17' ' ' ASN . 0.0 OUTLIER -67.17 -29.87 69.67 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.572 0.701 . . . . 0.0 111.229 177.629 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.3 -21.56 56.08 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.649 -0.657 . . . . 0.0 111.642 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -77.5 -29.79 52.67 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.419 -0.801 . . . . 0.0 110.209 173.362 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.551 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 3.6 m -77.45 -28.23 52.36 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.881 0.848 . . . . 0.0 110.397 172.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.22 -22.82 30.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.239 0.543 . . . . 0.0 111.803 174.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.491 ' O ' ' HB3' ' A' ' 28' ' ' ARG . . . -83.1 -42.9 7.81 Favored Glycine 0 N--CA 1.467 0.712 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 174.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 22' ' ' PHE . 3.5 t -55.33 -40.32 56.45 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.481 0 CA-C-O 122.174 0.987 . . . . 0.0 110.567 172.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.551 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.1 OUTLIER -68.34 -37.35 80.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.048 0.928 . . . . 0.0 110.941 176.091 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.491 ' HB3' ' O ' ' A' ' 25' ' ' GLY . 7.2 tpp85 -54.74 -41.89 70.93 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.96 0.886 . . . . 0.0 110.977 176.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.698 HD23 ' N ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -78.58 -28.02 45.77 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.615 0.721 . . . . 0.0 111.377 175.789 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.8 29.1 2.79 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.687 -0.633 . . . . 0.0 112.004 178.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -47.33 -30.32 3.1 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.77 0.795 . . . . 0.0 111.337 174.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.86 -36.08 0.37 Allowed Glycine 0 N--CA 1.461 0.358 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.13 -109.51 0.05 OUTLIER Glycine 0 C--N 1.32 -0.32 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -174.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 174.37 91.02 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.653 1.216 . . . . 0.0 111.148 -175.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -118.63 37.04 3.36 Favored Glycine 0 CA--C 1.511 -0.207 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.057 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 1.045 ' HB3' ' CE3' ' A' ' 37' ' ' TRP . 30.2 m-85 -108.98 -50.65 2.98 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.22 1.009 . . . . 0.0 110.969 176.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 1.045 ' CE3' ' HB3' ' A' ' 36' ' ' PHE . 0.6 OUTLIER . . . . . 1 C--O 1.381 7.975 0 CA-C-O 122.251 1.024 . . . . 0.0 110.991 -179.408 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.733 ' HB2' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.558 0 CA-C-O 121.583 0.706 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -92.48 -24.55 18.77 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.733 ' CD2' ' HB2' ' A' ' 1' ' ' LYS . 56.8 m-85 26.36 47.9 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 125.318 1.447 . . . . 0.0 112.861 -176.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.35 -120.66 0.92 Allowed Glycine 0 N--CA 1.461 0.317 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 176.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.487 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -143.47 -99.64 0.12 Allowed 'General case' 0 C--O 1.248 0.987 0 O-C-N 122.073 -0.663 . . . . 0.0 110.585 174.591 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.574 ' O ' HG22 ' A' ' 16' ' ' VAL . . . 67.2 2.84 21.15 Favored Glycine 0 N--CA 1.462 0.391 0 O-C-N 121.132 -0.98 . . . . 0.0 114.639 177.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 5' ' ' ASN . 97.0 t -108.2 59.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 122.468 1.127 . . . . 0.0 111.42 -173.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -95.58 49.43 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 122.968 1.366 . . . . 0.0 110.404 173.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 65.3 m -52.59 147.67 8.15 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.3 p -116.15 -155.84 0.59 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.368 0.604 . . . . 0.0 110.77 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HG2' ' H ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -95.41 39.19 1.13 Allowed 'General case' 0 C--N 1.32 -0.705 0 O-C-N 121.485 -0.76 . . . . 0.0 111.458 177.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.85 -43.24 0.43 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.1 0.952 . . . . 0.0 110.914 174.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.45 -125.53 0.85 Allowed Glycine 0 N--CA 1.46 0.245 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 174.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.4 m -137.2 -70.78 0.45 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.877 0.846 . . . . 0.0 110.916 174.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.59 83.22 0.06 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.996 0.903 . . . . 0.0 111.057 175.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.722 HG11 ' CH2' ' A' ' 18' ' ' TRP . 15.2 t -80.77 136.51 23.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.983 0.897 . . . . 0.0 111.01 177.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.7 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 2.0 t-20 -96.53 114.09 25.72 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.908 0.861 . . . . 0.0 110.963 174.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.722 ' CH2' HG11 ' A' ' 16' ' ' VAL . 22.9 m95 -89.91 -32.2 16.95 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.896 0.855 . . . . 0.0 111.118 -175.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.47 -37.48 35.65 Favored Glycine 0 C--N 1.32 -0.313 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 174.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.7 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 3.3 mm-40 -72.25 -27.62 62.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.554 0.692 . . . . 0.0 111.296 174.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . -76.72 -26.04 54.21 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 121.575 -0.703 . . . . 0.0 111.265 177.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.442 ' O ' HG23 ' A' ' 26' ' ' VAL . 29.0 t80 -76.92 -30.11 55.98 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.541 -0.725 . . . . 0.0 110.247 173.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.586 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 1.5 t -77.99 -27.22 48.99 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.763 0.792 . . . . 0.0 110.464 172.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -83.06 -24.93 32.53 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.307 0.575 . . . . 0.0 111.485 174.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.49 -46.02 7.09 Favored Glycine 0 N--CA 1.467 0.738 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 175.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 22' ' ' PHE . 6.6 t -54.97 -36.67 39.17 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 CA-C-O 122.581 1.182 . . . . 0.0 110.456 172.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.586 ' HB2' ' O ' ' A' ' 23' ' ' SER . 47.9 t-80 -69.51 -35.1 75.2 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.09 176.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -49.21 74.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.258 1.028 . . . . 0.0 110.857 175.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -31.99 59.46 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.383 178.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.23 23.02 6.13 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.593 -0.692 . . . . 0.0 112.36 -174.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -51.15 -36.44 40.96 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.955 0.883 . . . . 0.0 110.887 174.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -88.66 -62.24 1.4 Allowed Glycine 0 C--N 1.319 -0.373 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -176.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.91 65.34 1.83 Allowed Glycine 0 C--N 1.32 -0.338 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 176.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -103.27 32.71 3.63 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.934 0.873 . . . . 0.0 111.111 -177.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.75 83.92 1.58 Allowed Glycine 0 C--N 1.32 -0.358 0 CA-C-O 122.075 0.819 . . . . 0.0 111.059 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -95.43 -41.33 9.04 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.064 0.935 . . . . 0.0 111.034 177.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.8 p90 . . . . . 1 C--O 1.38 7.935 0 CA-C-O 121.967 0.889 . . . . 0.0 110.95 177.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm . . . . . 0 CA--C 1.512 -0.487 0 CA-C-O 122.317 1.056 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -124.55 38.21 4.24 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.334 1.064 . . . . 0.0 110.452 174.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -95.5 23.5 5.96 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.572 0.701 . . . . 0.0 111.771 -173.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.17 52.64 34.92 Favored Glycine 0 N--CA 1.461 0.341 0 O-C-N 121.349 -0.845 . . . . 0.0 111.164 -174.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -135.46 -52.14 0.76 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.898 0.856 . . . . 0.0 111.033 -177.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -111.3 -61.34 0.47 Allowed Glycine 0 C--N 1.319 -0.379 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -174.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.762 HG13 ' SG ' ' A' ' 9' ' ' CYS . 0.9 OUTLIER -55.72 -68.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 122.111 0.958 . . . . 0.0 110.969 -175.172 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.597 ' N ' HG12 ' A' ' 7' ' ' VAL . 0.5 OUTLIER 59.54 60.03 2.4 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.051 0.929 . . . . 0.0 110.973 174.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.762 ' SG ' HG13 ' A' ' 7' ' ' VAL . 48.0 m -102.03 127.56 48.85 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.829 0.823 . . . . 0.0 110.889 174.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.726 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 2.4 m -111.72 64.31 0.62 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.718 0.77 . . . . 0.0 111.188 -174.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.726 ' HG2' ' O ' ' A' ' 10' ' ' THR . 0.0 OUTLIER 44.28 55.5 5.51 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.966 0.889 . . . . 0.0 112.047 174.73 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.531 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 8.4 t 177.59 -56.35 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.037 0.922 . . . . 0.0 111.112 178.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.69 -156.81 7.06 Favored Glycine 0 C--N 1.321 -0.303 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 174.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.538 ' HB3' HG12 ' A' ' 16' ' ' VAL . 61.9 m -142.12 -52.01 0.41 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.155 0.979 . . . . 0.0 110.96 -175.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 73.61 14.52 4.24 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.453 175.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.538 HG12 ' HB3' ' A' ' 14' ' ' CYS . 0.2 OUTLIER -85.56 93.18 3.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 O-C-N 121.182 -0.949 . . . . 0.0 110.829 174.538 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.986 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 1.5 t-20 -78.19 143.88 36.8 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.884 0.85 . . . . 0.0 110.832 175.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 26.8 m95 -83.06 -36.97 24.49 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.926 0.869 . . . . 0.0 110.849 -178.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.69 -45.66 57.69 Favored Glycine 0 N--CA 1.462 0.401 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 174.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.986 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 1.5 mp0 -68.18 -16.56 64.04 Favored 'General case' 0 C--O 1.242 0.665 0 O-C-N 122.256 -0.555 . . . . 0.0 111.74 174.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . -74.74 -27.71 60.47 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.297 -0.877 . . . . 0.0 111.018 174.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.459 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.0 t80 -79.08 -27.63 43.02 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.571 0.701 . . . . 0.0 110.107 172.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.788 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -76.48 -26.55 55.45 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.621 0.724 . . . . 0.0 110.215 171.595 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.65 -29.72 27.42 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.621 0.724 . . . . 0.0 111.223 174.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.2 -40.4 34.26 Favored Glycine 0 N--CA 1.468 0.824 0 N-CA-C 108.209 -1.956 . . . . 0.0 108.209 174.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 22' ' ' PHE . 3.1 t -60.25 -40.0 82.41 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-O 122.944 1.354 . . . . 0.0 110.25 171.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.788 ' HB2' ' O ' ' A' ' 23' ' ' SER . 44.2 t-80 -75.25 -16.02 60.49 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.05 -177.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.5 tmm_? -83.97 -57.35 3.23 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.32 -0.862 . . . . 0.0 111.302 173.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.633 HD23 ' N ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -53.92 -39.32 65.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.106 0.955 . . . . 0.0 110.853 174.869 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.12 -33.02 44.66 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.646 0.736 . . . . 0.0 111.416 175.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 50.64 19.71 0.63 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.456 1.122 . . . . 0.0 111.45 -173.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.67 94.77 0.1 Allowed Glycine 0 N--CA 1.461 0.35 0 O-C-N 120.782 -1.199 . . . . 0.0 110.871 -174.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.7 -47.36 58.39 Favored Glycine 0 N--CA 1.46 0.282 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -177.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.4 t30 74.65 37.41 0.54 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.06 0.934 . . . . 0.0 111.869 174.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.549 ' C ' ' HD1' ' A' ' 36' ' ' PHE . . . 138.18 71.01 0.05 OUTLIER Glycine 0 CA--C 1.509 -0.302 0 CA-C-O 121.841 0.689 . . . . 0.0 112.018 174.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.649 ' HB3' ' CE3' ' A' ' 37' ' ' TRP . 2.6 m-85 -134.66 -48.18 0.75 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.068 0.937 . . . . 0.0 111.02 176.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.649 ' CE3' ' HB3' ' A' ' 36' ' ' PHE . 0.1 OUTLIER . . . . . 1 C--O 1.381 7.982 0 CA-C-O 121.943 0.878 . . . . 0.0 111.006 -179.249 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.509 -0.6 0 CA-C-O 121.886 0.85 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.575 ' C ' ' HD1' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -121.96 -0.29 9.55 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 174.741 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.591 ' N ' ' HD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 26.06 54.07 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 123.252 1.501 . . . . 0.0 112.684 -179.095 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.78 136.19 1.12 Allowed Glycine 0 CA--C 1.51 -0.227 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.827 174.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -156.07 -66.51 0.11 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.013 0.911 . . . . 0.0 111.007 174.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 157.74 49.9 0.01 OUTLIER Glycine 0 C--N 1.321 -0.298 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.828 HG13 ' CG2' ' A' ' 16' ' ' VAL . 2.6 t -144.49 59.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 122.005 0.907 . . . . 0.0 110.971 175.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 8' ' ' HIS . 0.2 OUTLIER -150.92 77.89 1.28 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 124.138 1.923 . . . . 0.0 110.359 -179.806 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -44.4 101.3 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 114.635 -1.166 . . . . 0.0 111.64 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 1.023 HG22 ' HG2' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -124.72 -44.95 1.93 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.805 0.812 . . . . 0.0 111.201 -174.566 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 1.023 ' HG2' HG22 ' A' ' 10' ' ' THR . 9.0 mmmt -96.95 -100.65 0.18 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.913 0.863 . . . . 0.0 110.074 -174.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.6 m -127.54 46.78 2.48 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.018 0.913 . . . . 0.0 111.006 -178.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.79 159.62 8.02 Favored Glycine 0 C--N 1.32 -0.334 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 m -80.01 -53.7 6.48 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.253 1.025 . . . . 0.0 110.931 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 82.27 28.93 0.13 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.13 0.967 . . . . 0.0 110.985 176.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.828 ' CG2' HG13 ' A' ' 7' ' ' VAL . 1.7 t -70.85 147.95 10.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.91 0.862 . . . . 0.0 110.904 -177.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.83 ' CG ' ' HB2' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -78.26 112.09 14.89 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.951 0.881 . . . . 0.0 110.941 -177.545 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -88.32 -26.83 22.05 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.624 0.726 . . . . 0.0 111.359 -174.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.0 -31.94 41.53 Favored Glycine 0 N--CA 1.461 0.338 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 174.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.83 ' HB2' ' CG ' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -74.19 -31.98 62.88 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.833 0.825 . . . . 0.0 111.125 176.35 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . . . -78.37 -21.8 48.87 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.29 0.567 . . . . 0.0 111.493 175.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.457 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -76.82 -30.74 56.5 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.448 -0.783 . . . . 0.0 110.253 173.292 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.472 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 25.2 t -78.24 -27.42 47.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.806 0.813 . . . . 0.0 110.391 173.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -84.56 -21.81 30.31 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.159 0.504 . . . . 0.0 111.768 174.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.89 -44.72 6.64 Favored Glycine 0 N--CA 1.466 0.679 0 N-CA-C 109.13 -1.588 . . . . 0.0 109.13 174.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 22' ' ' PHE . 5.5 t -55.02 -38.55 46.29 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.47 0 CA-C-O 122.206 1.003 . . . . 0.0 110.523 172.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 23' ' ' SER . 7.1 t-160 -68.63 -38.1 80.26 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.002 0.905 . . . . 0.0 110.909 175.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.424 ' HB3' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -54.65 -50.29 68.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.994 0.902 . . . . 0.0 111.039 178.109 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.591 HD23 ' N ' ' A' ' 29' ' ' LEU . 1.3 mt -71.79 -29.59 64.62 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.44 0.638 . . . . 0.0 111.442 -179.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.94 19.6 3.5 Favored 'General case' 0 C--O 1.243 0.763 0 O-C-N 121.518 -0.739 . . . . 0.0 112.696 -174.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -58.22 -36.19 72.8 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.209 -0.932 . . . . 0.0 110.859 174.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.76 49.89 0.74 Allowed Glycine 0 C--N 1.319 -0.366 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.38 -42.73 0.87 Allowed Glycine 0 C--N 1.32 -0.332 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 61.31 30.8 19.28 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.83 0.824 . . . . 0.0 111.287 -175.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -89.14 -50.94 3.1 Favored Glycine 0 C--N 1.319 -0.387 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -115.66 5.67 14.34 Favored 'General case' 0 C--O 1.244 0.808 0 O-C-N 121.911 -0.758 . . . . 0.0 112.743 177.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 . . . . . 1 C--O 1.38 7.942 0 CA-C-O 122.019 0.914 . . . . 0.0 111.482 -174.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.615 ' C ' ' HD1' ' A' ' 2' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.557 0 CA-C-O 121.944 0.878 . . . . 0.0 111.096 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.615 ' HD1' ' C ' ' A' ' 1' ' ' LYS . 0.3 OUTLIER 176.03 75.35 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.056 0.932 . . . . 0.0 111.104 -177.527 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.614 ' HA ' HG21 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -95.02 18.52 11.92 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 123.556 0.742 . . . . 0.0 111.451 -174.451 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.75 -137.14 0.19 Allowed Glycine 0 CA--C 1.508 -0.391 0 CA-C-O 123.135 1.408 . . . . 0.0 113.118 -172.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -67.63 123.47 20.55 Favored 'General case' 0 CA--C 1.51 -0.591 0 O-C-N 121.45 -1.029 . . . . 0.0 110.973 -174.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 88.74 39.82 6.49 Favored Glycine 0 C--N 1.32 -0.314 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 178.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.614 HG21 ' HA ' ' A' ' 3' ' ' TYR . 3.5 t -127.61 -48.39 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.955 0.883 . . . . 0.0 110.978 174.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.5 t60 61.14 66.99 0.83 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.008 0.908 . . . . 0.0 110.967 -177.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.49 ' HB2' ' HB3' ' A' ' 14' ' ' CYS . 42.7 t -80.95 95.59 6.81 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.002 0.906 . . . . 0.0 110.989 176.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.658 HG23 ' N ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -101.65 -159.42 0.73 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.347 0.594 . . . . 0.0 110.704 -174.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.658 ' N ' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER -96.45 37.11 1.29 Allowed 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.413 -0.804 . . . . 0.0 111.358 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 m -134.44 -42.9 0.77 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.107 0.956 . . . . 0.0 110.795 174.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.77 147.87 5.77 Favored Glycine 0 N--CA 1.461 0.308 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 174.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.49 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -111.47 -144.97 0.39 Allowed 'General case' 0 C--N 1.318 -0.77 0 O-C-N 121.875 -0.78 . . . . 0.0 109.927 -179.051 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.4 p 43.66 60.88 2.47 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.784 0.802 . . . . 0.0 111.419 -174.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.615 HG11 ' CH2' ' A' ' 18' ' ' TRP . 16.8 t -106.08 117.16 51.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.947 0.88 . . . . 0.0 111.601 -174.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -94.63 117.97 30.96 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.57 0.7 . . . . 0.0 110.58 173.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.615 ' CH2' HG11 ' A' ' 16' ' ' VAL . 49.6 m95 -88.32 -33.47 17.98 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.639 0.733 . . . . 0.0 111.591 -174.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.69 -43.85 73.71 Favored Glycine 0 N--CA 1.462 0.373 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 174.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.16 -25.29 59.64 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 122.176 -0.602 . . . . 0.0 111.526 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.496 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . . . -81.59 -18.86 43.33 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.527 -0.733 . . . . 0.0 111.753 177.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.451 ' O ' HG23 ' A' ' 26' ' ' VAL . 37.6 t80 -80.59 -32.12 36.57 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.389 -0.82 . . . . 0.0 109.877 172.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 28.7 t -78.68 -30.17 45.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.816 0.817 . . . . 0.0 110.385 172.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.496 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -84.81 -19.21 32.86 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.003 174.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.35 -44.65 6.13 Favored Glycine 0 N--CA 1.466 0.644 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 174.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 22' ' ' PHE . 6.8 t -56.17 -38.15 52.82 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.539 0 CA-C-O 121.933 0.873 . . . . 0.0 110.68 172.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 23' ' ' SER . 1.4 m170 -75.8 -34.4 60.18 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.955 0.883 . . . . 0.0 111.038 177.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.68 ' HB3' HD23 ' A' ' 29' ' ' LEU . 1.5 ttt180 -57.08 -46.45 82.52 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.989 0.899 . . . . 0.0 110.992 177.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.981 HD12 ' CD2' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -80.02 -35.09 37.81 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.9 0.857 . . . . 0.0 111.07 -175.213 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.5 -46.71 57.26 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.951 0.881 . . . . 0.0 111.109 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -60.69 -48.44 81.78 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 122.019 0.914 . . . . 0.0 110.954 -176.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -123.87 -84.17 0.62 Allowed Glycine 0 C--N 1.321 -0.302 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 177.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 144.91 156.4 6.81 Favored Glycine 0 C--N 1.32 -0.354 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -145.24 -82.98 0.14 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.991 0.9 . . . . 0.0 111.024 -176.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.2 60.91 0.42 Allowed Glycine 0 C--N 1.32 -0.329 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -176.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.981 ' CD2' HD12 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -103.73 -36.55 7.82 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.016 0.913 . . . . 0.0 111.028 176.529 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.714 ' CE3' ' HB3' ' A' ' 36' ' ' PHE . 1.4 p90 . . . . . 1 C--O 1.38 7.948 0 CA-C-O 121.979 0.895 . . . . 0.0 111.136 179.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.887 ' HD2' HG11 ' A' ' 7' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.578 0 CA-C-O 121.815 0.817 . . . . 0.0 110.851 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -163.42 28.68 0.09 Allowed 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.448 0.642 . . . . 0.0 112.09 -174.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 1.001 ' CE1' HG13 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -93.47 -15.51 25.49 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 177.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.39 68.56 0.87 Allowed Glycine 0 C--N 1.318 -0.441 0 N-CA-C 111.662 -0.575 . . . . 0.0 111.662 -173.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -159.22 34.21 0.2 Allowed 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.642 -0.916 . . . . 0.0 111.88 -175.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.76 64.22 1.38 Allowed Glycine 0 C--N 1.32 -0.336 0 CA-C-O 122.058 0.81 . . . . 0.0 111.54 174.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.001 HG13 ' CE1' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -73.45 -2.75 3.67 Favored 'Isoleucine or valine' 0 C--O 1.246 0.89 0 O-C-N 121.978 -0.719 . . . . 0.0 112.678 -178.825 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.1 t60 66.01 87.54 0.12 Allowed 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.117 -0.989 . . . . 0.0 110.771 174.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.2 m -117.74 154.99 30.77 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.012 0.91 . . . . 0.0 110.994 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.5 p -128.57 -162.52 1.2 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.004 0.907 . . . . 0.0 110.978 175.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -97.7 41.59 1.12 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.911 0.863 . . . . 0.0 111.09 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -165.26 -51.11 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.992 0.901 . . . . 0.0 111.031 174.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -164.29 148.3 14.27 Favored Glycine 0 C--N 1.32 -0.348 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.7 m -89.93 -69.56 0.71 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.943 0.878 . . . . 0.0 110.979 -174.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.1 t 67.74 100.68 0.05 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.961 0.886 . . . . 0.0 111.011 174.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.718 HG21 ' OH ' ' A' ' 3' ' ' TYR . 2.8 t -91.37 112.75 25.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.86 0.838 . . . . 0.0 111.121 -174.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.804 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -72.36 152.04 42.31 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.925 0.869 . . . . 0.0 111.025 174.657 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -110.62 -43.56 3.82 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.751 0.786 . . . . 0.0 111.015 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.32 -44.78 63.77 Favored Glycine 0 N--CA 1.463 0.434 0 CA-C-O 122.549 1.083 . . . . 0.0 110.466 174.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.804 ' HB2' ' HB2' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -66.33 -25.85 67.02 Favored 'General case' 0 CA--C 1.509 -0.599 0 O-C-N 122.03 -0.688 . . . . 0.0 111.037 174.317 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . -70.83 -26.18 63.17 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 121.586 -0.696 . . . . 0.0 111.145 174.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 26' ' ' VAL . 40.4 t80 -76.09 -28.61 57.63 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.652 0.739 . . . . 0.0 110.251 173.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.459 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 63.9 m -77.27 -28.58 53.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.875 0.845 . . . . 0.0 110.4 172.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.97 -22.89 33.59 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.255 0.55 . . . . 0.0 111.819 174.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.63 -43.86 7.12 Favored Glycine 0 N--CA 1.465 0.62 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 174.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 22' ' ' PHE . 4.1 t -55.06 -35.32 34.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 122.154 0.978 . . . . 0.0 110.55 172.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.459 ' HB2' ' O ' ' A' ' 23' ' ' SER . 7.0 t-80 -72.78 -39.02 67.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.025 0.917 . . . . 0.0 110.969 174.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.41 -37.95 51.06 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.078 0.942 . . . . 0.0 111.03 177.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 29' ' ' LEU . 1.2 mt -81.84 -29.37 32.6 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.724 0.773 . . . . 0.0 111.233 177.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.59 21.64 3.89 Favored 'General case' 0 C--O 1.242 0.698 0 O-C-N 121.733 -0.604 . . . . 0.0 112.373 177.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -50.93 -33.14 23.08 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.97 0.891 . . . . 0.0 110.95 174.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.69 -75.55 1.27 Allowed Glycine 0 C--N 1.32 -0.324 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 177.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.04 -93.51 0.39 Allowed Glycine 0 C--N 1.32 -0.311 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 177.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.406 ' HB2' ' H ' ' A' ' 35' ' ' GLY . 0.7 OUTLIER -108.69 -79.45 0.58 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.03 0.919 . . . . 0.0 110.951 177.489 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.406 ' H ' ' HB2' ' A' ' 34' ' ' ASN . . . 67.42 56.98 9.86 Favored Glycine 0 C--N 1.319 -0.382 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 176.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -118.57 -57.47 2.05 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.455 1.122 . . . . 0.0 110.974 174.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 1 C--O 1.38 7.955 0 CA-C-O 122.009 0.909 . . . . 0.0 111.103 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.755 ' CB ' HG11 ' A' ' 7' ' ' VAL . 2.2 pttt . . . . . 0 CA--C 1.51 -0.585 0 CA-C-O 121.843 0.83 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.566 ' O ' ' HD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -144.63 18.07 1.66 Allowed 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.705 -0.622 . . . . 0.0 112.519 174.408 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.566 ' HD1' ' O ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER 22.46 54.8 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 123.95 1.833 . . . . 0.0 112.512 -176.862 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.31 -50.33 0.09 OUTLIER Glycine 0 CA--C 1.511 -0.206 0 CA-C-N 114.744 -1.116 . . . . 0.0 111.6 174.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.51 -36.67 17.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.011 0.91 . . . . 0.0 110.98 -177.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.37 101.86 0.68 Allowed Glycine 0 C--N 1.319 -0.403 0 CA-C-O 122.982 1.323 . . . . 0.0 110.475 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.755 HG11 ' CB ' ' A' ' 1' ' ' LYS . 2.6 t -138.06 -71.01 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-O 121.99 0.9 . . . . 0.0 110.975 -178.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.5 t60 54.74 71.2 0.55 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.994 0.902 . . . . 0.0 111.056 174.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.3 m -86.96 118.82 26.59 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.98 0.895 . . . . 0.0 111.034 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 t -159.75 155.69 26.35 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.037 0.922 . . . . 0.0 110.993 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.15 78.88 0.21 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.054 0.93 . . . . 0.0 110.988 175.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.8 m 68.92 65.16 0.29 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.06 0.933 . . . . 0.0 110.971 175.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.86 -155.9 46.98 Favored Glycine 0 C--N 1.321 -0.298 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 175.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.4 m -97.49 -75.51 0.54 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.805 0.812 . . . . 0.0 110.924 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.0 p 46.42 51.67 11.46 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.944 0.878 . . . . 0.0 111.305 -174.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 17' ' ' ASN . 0.4 OUTLIER -96.04 147.75 5.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 122.073 0.939 . . . . 0.0 111.292 -174.819 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.468 ' O ' HG22 ' A' ' 16' ' ' VAL . 1.3 t-20 -96.15 -159.95 0.76 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.499 0.666 . . . . 0.0 110.719 174.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -145.27 -42.79 0.22 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.621 0.724 . . . . 0.0 111.559 -177.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.69 -37.25 52.23 Favored Glycine 0 N--CA 1.462 0.378 0 N-CA-C 110.551 -1.02 . . . . 0.0 110.551 174.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -73.18 -25.93 60.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.296 0.569 . . . . 0.0 111.359 174.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.482 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . . . -82.24 -17.21 46.84 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 121.568 -0.707 . . . . 0.0 112.019 176.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -84.9 -26.68 27.13 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.304 -0.873 . . . . 0.0 110.134 172.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 t -83.94 -26.31 29.39 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.749 0.785 . . . . 0.0 110.233 171.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.616 ' O ' ' HB2' ' A' ' 28' ' ' ARG . . . -86.58 -27.39 23.93 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.601 0.715 . . . . 0.0 111.228 174.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.16 -41.48 39.03 Favored Glycine 0 N--CA 1.467 0.745 0 N-CA-C 108.36 -1.896 . . . . 0.0 108.36 173.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.557 HG12 ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -47.43 -63.31 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 CA-C-O 123.476 1.608 . . . . 0.0 110.659 172.046 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.689 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -68.52 -27.65 66.3 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.053 -174.543 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.616 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 18.0 ttt180 -57.8 -37.69 74.21 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.055 0.931 . . . . 0.0 110.684 174.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.684 HD23 ' N ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -80.47 -41.49 24.29 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.317 1.056 . . . . 0.0 110.878 174.513 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.689 ' HB3' ' HA ' ' A' ' 27' ' ' HIS . . . -60.16 -18.23 46.35 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.396 -174.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -53.79 -42.77 68.68 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 121.263 -0.898 . . . . 0.0 111.333 -174.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.65 50.84 0.44 Allowed Glycine 0 C--N 1.32 -0.34 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 175.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.84 -67.14 0.87 Allowed Glycine 0 C--N 1.32 -0.339 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -175.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 61.1 32.02 19.7 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.935 0.874 . . . . 0.0 111.137 -175.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -94.24 -56.54 1.36 Allowed Glycine 0 C--N 1.32 -0.328 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -175.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.862 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 0.7 OUTLIER -83.6 -42.03 17.19 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.975 0.893 . . . . 0.0 110.963 179.196 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.862 ' CE3' ' HB2' ' A' ' 36' ' ' PHE . 5.3 p90 . . . . . 1 C--O 1.38 7.941 0 CA-C-O 121.973 0.892 . . . . 0.0 111.008 -176.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.3 mttm . . . . . 0 CA--C 1.511 -0.551 0 CA-C-O 121.945 0.879 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.18 34.34 0.58 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.801 0.81 . . . . 0.0 111.103 176.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.563 ' N ' ' HD1' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -101.28 39.37 1.42 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.727 0.775 . . . . 0.0 110.921 178.188 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.5 144.48 3.98 Favored Glycine 0 C--N 1.318 -0.418 0 N-CA-C 110.287 -1.125 . . . . 0.0 110.287 -174.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -53.31 -176.05 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 123.725 1.726 . . . . 0.0 111.442 174.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 121.74 4.14 9.77 Favored Glycine 0 C--N 1.319 -0.362 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.924 -172.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 8' ' ' HIS . 2.5 t -87.46 -69.15 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 122.142 0.972 . . . . 0.0 109.926 173.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.4 ' N ' HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER 52.05 82.86 0.06 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.786 1.279 . . . . 0.0 111.425 173.006 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -88.78 73.9 8.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 122.078 0.942 . . . . 0.0 110.848 174.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.2 p -83.44 -159.7 0.38 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.87 0.843 . . . . 0.0 110.981 -176.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -99.83 43.43 1.06 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.043 0.925 . . . . 0.0 111.021 174.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.7 t -140.34 -49.95 0.46 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.952 0.882 . . . . 0.0 111.004 174.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.55 142.48 5.94 Favored Glycine 0 C--N 1.321 -0.299 0 CA-C-O 122.029 0.794 . . . . 0.0 111.174 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 15' ' ' SER . 62.7 m -80.82 -63.02 1.5 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.093 0.949 . . . . 0.0 110.944 174.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.452 ' HB2' ' O ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER 70.19 73.02 0.22 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.953 0.883 . . . . 0.0 110.957 -174.802 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.9 t -145.65 160.13 12.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.991 0.9 . . . . 0.0 111.103 -174.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.654 ' CG ' ' HB3' ' A' ' 20' ' ' GLU . 9.6 t-20 -99.19 112.93 24.97 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.938 0.875 . . . . 0.0 110.985 174.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -94.05 -28.39 15.76 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.721 0.772 . . . . 0.0 111.359 -174.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.03 -34.96 40.27 Favored Glycine 0 N--CA 1.461 0.356 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.654 ' HB3' ' CG ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -67.35 -34.56 77.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.922 0.867 . . . . 0.0 111.005 174.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.66 -21.97 59.14 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.24 0.543 . . . . 0.0 111.456 177.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.456 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -75.41 -30.99 60.24 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 121.436 -0.79 . . . . 0.0 110.171 172.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -73.94 -31.49 63.07 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 122.058 0.932 . . . . 0.0 110.423 172.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.72 -24.11 31.35 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.744 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.73 -43.06 8.57 Favored Glycine 0 N--CA 1.465 0.609 0 N-CA-C 109.184 -1.567 . . . . 0.0 109.184 174.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.819 HG13 ' CE2' ' A' ' 36' ' ' PHE . 2.8 t -52.37 -41.75 36.06 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-O 121.967 0.889 . . . . 0.0 110.575 172.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -70.06 -34.85 73.73 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.963 0.887 . . . . 0.0 111.058 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -53.9 -40.67 66.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.949 0.88 . . . . 0.0 110.96 175.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.605 HD23 ' N ' ' A' ' 29' ' ' LEU . 1.2 mt -75.57 -40.16 57.08 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.96 0.886 . . . . 0.0 111.051 178.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.8 -86.45 0.1 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.012 0.91 . . . . 0.0 110.992 -174.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t30 50.73 18.51 0.5 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.972 0.891 . . . . 0.0 111.84 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.92 -45.59 72.58 Favored Glycine 0 N--CA 1.462 0.378 0 O-C-N 120.935 -1.103 . . . . 0.0 110.991 -174.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.44 -35.45 1.43 Allowed Glycine 0 C--N 1.32 -0.344 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 178.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -102.57 -80.93 0.5 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.981 0.896 . . . . 0.0 111.01 -174.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -128.29 -70.82 0.15 Allowed Glycine 0 C--N 1.32 -0.319 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -176.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.819 ' CE2' HG13 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -151.96 -49.52 0.11 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.237 1.018 . . . . 0.0 110.906 -175.799 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.7 p90 . . . . . 1 C--O 1.38 7.961 0 CA-C-O 122.002 0.906 . . . . 0.0 111.025 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.518 ' NZ ' ' HB2' ' A' ' 1' ' ' LYS . 0.4 OUTLIER . . . . . 0 CA--C 1.511 -0.542 0 CA-C-O 122.1 0.952 . . . . 0.0 110.998 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -160.48 45.26 0.21 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.7 0.762 . . . . 0.0 110.989 179.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -63.93 -16.32 61.19 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -177.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.528 ' O ' ' HB3' ' A' ' 5' ' ' ASN . . . 34.01 40.63 0.16 Allowed Glycine 0 C--N 1.318 -0.46 0 C-N-CA 124.037 0.827 . . . . 0.0 114.481 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.528 ' HB3' ' O ' ' A' ' 4' ' ' GLY . 44.9 t30 71.77 -84.2 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 O-C-N 122.2 -0.588 . . . . 0.0 110.621 -174.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.31 -76.34 0.67 Allowed Glycine 0 N--CA 1.462 0.433 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 174.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.005 HG21 HG11 ' A' ' 16' ' ' VAL . 8.4 p -141.04 -60.59 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 122.357 1.075 . . . . 0.0 111.314 -174.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.548 ' CE1' ' CG2' ' A' ' 10' ' ' THR . 1.8 t60 137.9 77.11 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 127.924 2.489 . . . . 0.0 108.673 -171.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.452 ' HB2' ' HB3' ' A' ' 14' ' ' CYS . 16.3 t -59.13 95.02 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.996 0.903 . . . . 0.0 111.709 -173.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.548 ' CG2' ' CE1' ' A' ' 8' ' ' HIS . 1.4 t -173.55 29.73 0.01 OUTLIER 'General case' 0 C--O 1.242 0.68 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.553 174.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.576 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 10.4 ptmt -148.83 33.16 0.76 Allowed 'General case' 0 C--N 1.32 -0.714 0 O-C-N 121.292 -0.88 . . . . 0.0 111.821 -174.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.526 ' HB3' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER 89.29 -27.4 0.05 Allowed 'General case' 0 C--O 1.243 0.734 0 C-N-CA 124.097 0.959 . . . . 0.0 111.688 174.608 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -130.6 122.07 3.47 Favored Glycine 0 C--N 1.318 -0.433 0 O-C-N 121.26 -0.9 . . . . 0.0 110.899 174.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.642 ' O ' HG12 ' A' ' 7' ' ' VAL . 59.7 m -92.61 -56.97 2.82 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.823 1.297 . . . . 0.0 110.994 -177.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.29 56.21 3.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.949 1.357 . . . . 0.0 110.777 172.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.005 HG11 HG21 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -56.13 135.5 19.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 122.903 1.335 . . . . 0.0 112.623 -174.686 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.479 HD22 ' HG3' ' A' ' 20' ' ' GLU . 3.0 t-20 -97.33 -148.07 0.32 Allowed 'General case' 0 C--O 1.244 0.814 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.705 172.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -141.13 -41.77 0.38 Allowed 'General case' 0 C--N 1.317 -0.808 0 O-C-N 121.503 -0.748 . . . . 0.0 111.069 174.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.57 -40.84 26.3 Favored Glycine 0 N--CA 1.462 0.413 0 CA-C-O 123.014 1.341 . . . . 0.0 109.963 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.479 ' HG3' HD22 ' A' ' 17' ' ' ASN . 6.2 mm-40 -74.16 -24.25 59.37 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 122.063 -0.669 . . . . 0.0 111.401 174.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . . . -77.33 -25.26 50.96 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.49 -0.756 . . . . 0.0 111.339 176.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.472 ' O ' HG23 ' A' ' 26' ' ' VAL . 63.3 t80 -78.11 -30.45 49.47 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.555 -0.715 . . . . 0.0 110.096 173.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 24.6 t -77.01 -27.67 54.72 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.865 0.84 . . . . 0.0 110.466 172.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.426 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . . . -84.07 -24.15 30.52 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.233 0.54 . . . . 0.0 111.74 174.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.33 -42.77 8.37 Favored Glycine 0 N--CA 1.466 0.639 0 N-CA-C 109.229 -1.549 . . . . 0.0 109.229 174.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 22' ' ' PHE . 3.3 t -54.99 -40.08 52.29 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.466 0 CA-C-O 122.106 0.955 . . . . 0.0 110.582 172.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.493 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.1 OUTLIER -66.84 -42.24 86.09 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.986 0.898 . . . . 0.0 110.95 175.107 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -55.02 -35.58 64.57 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.992 0.901 . . . . 0.0 110.966 -176.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.578 HD23 ' N ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -84.72 -36.39 21.85 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.881 0.848 . . . . 0.0 111.077 176.766 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.79 -86.09 0.11 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.047 0.927 . . . . 0.0 111.022 -174.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 t30 51.74 17.47 0.61 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.78 0.8 . . . . 0.0 111.99 -174.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -130.19 -52.02 0.1 Allowed Glycine 0 N--CA 1.463 0.455 0 O-C-N 120.963 -1.085 . . . . 0.0 110.964 -174.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.23 -55.0 30.52 Favored Glycine 0 N--CA 1.461 0.318 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -176.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 62.63 30.56 16.97 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.683 0.754 . . . . 0.0 111.444 -176.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.04 90.12 0.07 OUTLIER Glycine 0 C--N 1.319 -0.39 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -86.38 -53.06 5.22 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.322 1.058 . . . . 0.0 110.915 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 1 C--O 1.38 7.931 0 CA-C-O 122.032 0.92 . . . . 0.0 110.995 178.2 . . . . . . . . 2 2 . 1 stop_ save_