data_2jsh_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 2jsh _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 t -77.33 125.65 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.506 ' O ' ' CG ' ' A' ' 21' ' ' ARG . . . 108.82 8.75 27.6 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.427 1.079 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -77.93 -12.59 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 109.219 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.464 ' CB ' HD13 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -54.32 -18.85 4.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.482 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -141.45 53.21 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.464 ' HA ' ' CB ' ' A' ' 21' ' ' ARG . 1.2 t -79.08 -69.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.068 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.17 -21.61 2.78 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -77.48 -61.34 2.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.566 0.804 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.724 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -35.38 -44.2 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 110.274 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.724 ' CD2' ' O ' ' A' ' 15' ' ' GLN . 1.6 p90 49.41 122.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.571 ' HG2' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER 32.63 34.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.28 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.534 ' N ' ' O ' ' A' ' 16' ' ' TYR . 1.1 tp60 -83.31 2.97 33.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 0.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.563 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 1.2 p80 41.18 39.59 0.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.61 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.33 -53.58 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -92.96 -72.0 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 110.359 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.33 -5.22 54.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.7 t70 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.0 m -43.97 124.96 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.482 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 104.06 27.54 6.2 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -104.14 -6.72 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 0.727 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.493 ' C ' ' CD1' ' A' ' 11' ' ' LEU . 4.4 mtmt -39.44 -37.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.368 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.493 ' CD1' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -122.69 48.55 1.76 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' ILE . 1.4 t -77.38 -63.96 1.25 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.37 -18.32 9.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.66 -36.22 14.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 0.775 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.453 ' OE1' ' NE ' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -76.06 47.93 0.47 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.542 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -55.87 133.37 51.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 111.067 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 16' ' ' TYR . 0.6 OUTLIER 42.44 21.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 16' ' ' TYR . 21.2 tp60 -76.32 2.79 12.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 110.214 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.567 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 1.2 p80 40.79 39.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.419 ' HA3' ' NH2' ' A' ' 21' ' ' ARG . . . -130.77 -54.39 0.09 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.528 1.143 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.525 ' N ' ' NE ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -101.15 -74.12 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 0.734 . . . . 0.0 110.342 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.582 ' O ' ' CG ' ' A' ' 23' ' ' LEU . . . -70.35 -18.39 63.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.582 ' CG ' ' O ' ' A' ' 22' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 36.6 t -84.46 7.44 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.454 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . -109.04 22.01 26.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.518 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -93.65 2.51 9.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.576 0.81 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.454 ' CE ' ' HA2' ' A' ' 8' ' ' GLY . 2.6 mtmp? -49.24 -23.98 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.36 57.14 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.412 ' HA ' ' CB ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -90.4 -67.95 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.035 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.88 -22.06 8.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.402 1.064 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -80.65 -66.67 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.741 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -37.25 -48.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.741 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 1.0 OUTLIER 53.95 135.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.163 . . . . 0.0 111.007 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.56 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 pt20 31.76 37.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.315 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.564 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 4.7 tm0? -85.79 3.08 43.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.438 1.087 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.564 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 2.2 p80 39.62 39.56 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.574 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.41 ' HA3' ' NH2' ' A' ' 21' ' ' ARG . . . -141.85 -51.31 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.412 ' CB ' ' HA ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -84.86 -72.79 0.46 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 0.763 . . . . 0.0 110.26 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.34 -5.92 59.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 6.2 t -82.06 3.51 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.99 38.21 3.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.48 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -117.66 0.34 8.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 0.748 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.462 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 1.4 mtmp? -46.77 -29.02 1.72 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -128.85 48.94 2.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.397 1.061 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.4 ' HA ' ' CB ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -77.91 -66.05 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 110.098 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.55 -20.8 4.12 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.451 1.094 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' TYR . . . -85.49 -41.45 15.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 0.805 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.458 ' HG3' ' CG ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -68.7 56.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.585 ' CD2' ' HG2' ' A' ' 17' ' ' GLN . 26.0 p90 -57.79 128.42 36.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.585 ' HG2' ' CD2' ' A' ' 16' ' ' TYR . 2.7 pt20 43.62 22.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.336 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.467 ' N ' ' C ' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -72.49 -0.26 12.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.243 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.579 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 1.3 p80 38.38 44.17 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.578 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.444 ' HA3' ' NH2' ' A' ' 21' ' ' ARG . . . -136.87 -57.76 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.449 ' NE ' ' OE1' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -81.29 -76.66 0.24 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 0.766 . . . . 0.0 110.339 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . -72.26 -9.73 58.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.496 ' O ' ' CD1' ' A' ' 23' ' ' LEU . 1.4 pp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 m -59.76 127.39 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.488 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 108.57 24.24 6.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.499 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -106.88 0.67 10.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.463 0.743 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.488 ' CE ' ' HA2' ' A' ' 8' ' ' GLY . 0.9 OUTLIER -41.37 -28.62 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -142.78 56.01 1.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.497 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.2 t -77.23 -68.33 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.46 -18.19 9.8 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -82.67 -65.13 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.82 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 2.2 tp-100 -36.43 -37.89 0.14 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.406 1.066 . . . . 0.0 110.264 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.82 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.6 p90 52.72 144.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.543 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER 32.59 33.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.585 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 40.0 tp60 -73.62 -1.58 19.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 2.0 p80 36.72 38.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.59 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -156.66 -45.59 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.445 1.09 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.536 ' HE ' ' N ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -86.51 -70.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 0.718 . . . . 0.0 110.341 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.47 -6.68 59.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 2.9 t -78.04 -0.37 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.504 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . -100.3 48.24 1.21 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.566 1.166 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.6 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -135.04 9.48 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.444 0.732 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.562 ' CG ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -47.14 -24.26 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 109.233 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.562 ' CD1' ' CG ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -146.07 54.06 1.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.586 1.179 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.472 ' HB2' ' CG1' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -73.35 -69.39 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.95 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.76 -22.5 2.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.06 -42.16 21.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 0.762 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.481 ' HG3' ' CG ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -77.02 45.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.491 ' O ' ' N ' ' A' ' 18' ' ' GLN . 1.0 OUTLIER -51.52 133.23 30.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 16' ' ' TYR . 0.7 OUTLIER 41.39 23.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -77.27 3.59 12.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.579 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 1.1 p80 39.82 41.17 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.625 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.515 ' CA ' ' NH2' ' A' ' 21' ' ' ARG . . . -132.52 -56.97 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.423 1.077 . . . . 0.0 111.029 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.515 ' NH2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -90.54 -76.02 0.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 0.753 . . . . 0.0 110.333 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.16 -8.26 55.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.377 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.6 m -45.71 129.3 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.503 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 101.66 35.22 4.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.559 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -127.28 5.85 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.571 ' CG ' ' CD1' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -44.77 -24.68 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.571 ' CD1' ' CG ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -148.15 56.38 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.502 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 0.9 OUTLIER -74.22 -70.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.057 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.52 -19.11 5.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.569 1.168 . . . . 0.0 111.026 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -80.84 -65.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.82 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 6.1 tp-100 -36.23 -36.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.82 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.7 p90 52.48 144.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.042 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.536 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 33.06 33.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.579 1.175 . . . . 0.0 110.336 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.58 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 39.1 tp60 -73.95 -1.96 21.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 110.259 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.482 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.3 p80 34.99 39.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.574 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.42 ' HA3' ' NH2' ' A' ' 21' ' ' ARG . . . -156.74 -46.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.497 1.123 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.502 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -86.56 -69.68 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.6 0.824 . . . . 0.0 110.376 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.33 -5.11 59.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.3 mt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.2 m -42.51 122.79 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 107.18 14.88 17.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.457 1.098 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.484 ' CG1' ' HG2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -81.85 1.72 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.563 0.801 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.499 ' C ' ' CD1' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -64.2 -35.75 81.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.499 ' CD1' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -126.18 45.25 2.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -65.5 -64.27 0.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 109.996 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.14 -17.33 10.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -88.29 -58.56 2.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.337 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.752 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 34.8 mt-30 -38.81 -40.43 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.752 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 1.7 p90 52.72 140.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.57 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 0.8 OUTLIER 28.93 37.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.529 1.143 . . . . 0.0 110.348 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.599 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 16.3 tp60 -71.2 -0.82 10.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.555 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 1.1 p80 39.85 39.23 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.629 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.428 ' HA3' ' NH2' ' A' ' 21' ' ' ARG . . . -144.85 -49.7 0.03 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.484 ' HG2' ' CG1' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -93.48 -72.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 0.0 110.277 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . -76.32 -6.01 49.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 109.361 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.51 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 1.2 t -102.09 2.26 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.454 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . -105.52 24.53 27.12 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.511 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -99.04 3.5 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.42 0.717 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.488 ' C ' ' CD1' ' A' ' 11' ' ' LEU . 2.2 mtmp? -48.41 -32.45 7.66 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.488 ' CD1' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -125.1 57.71 1.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.477 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.4 t -96.65 -64.07 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.024 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.75 -19.92 37.76 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -82.61 -66.28 0.91 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 0.772 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.812 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -35.22 -42.97 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.812 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 1.9 p90 52.94 143.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.553 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 pt20 33.88 33.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.078 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.671 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 48.2 tp60 -79.26 0.2 29.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.492 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.9 OUTLIER 33.47 40.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.627 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . -150.41 -48.91 0.02 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.546 ' NH2' ' CG ' ' A' ' 18' ' ' GLN . 1.0 OUTLIER -84.24 -71.6 0.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 0.75 . . . . 0.0 110.22 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . -84.16 -5.12 59.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.366 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 7' ' ' VAL . 72.1 m-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' ASP . 5.9 m -39.47 126.02 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.504 ' O ' ' CG ' ' A' ' 21' ' ' ARG . . . 105.05 28.21 5.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.542 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -111.55 4.01 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.495 ' CE ' ' HA2' ' A' ' 8' ' ' GLY . 5.2 mtmt -36.77 -36.35 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.568 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -144.16 48.6 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.483 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.4 t -61.33 -69.15 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.66 -20.48 2.76 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.09 -49.6 9.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.781 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.756 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 6.9 mm-40 -48.43 -35.47 12.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.756 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.5 p90 51.24 140.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.535 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 32.31 34.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.319 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.557 HE22 ' NH2' ' A' ' 21' ' ' ARG . 19.6 tm0? -69.63 -2.97 13.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 1.1 p80 39.63 39.14 0.48 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.574 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.431 ' CA ' ' OE1' ' A' ' 18' ' ' GLN . . . -165.52 -42.63 0.02 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.491 1.119 . . . . 0.0 111.068 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.628 ' HE ' ' N ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -89.22 -69.0 0.74 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 0.781 . . . . 0.0 110.293 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.05 -6.35 56.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.409 1.068 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 1.2 t -88.38 1.19 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -105.81 34.14 5.98 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.488 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -109.27 2.1 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.443 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 1.7 mtmp? -51.22 -23.69 3.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.498 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -130.39 50.76 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.26 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.95 -67.89 0.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 110.045 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.87 -21.8 2.54 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -79.95 -66.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 0.737 . . . . 0.0 109.357 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.696 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -37.57 -50.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.703 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 0.7 OUTLIER 53.54 132.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 0.0 110.962 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.54 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 pt20 30.98 37.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.257 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.542 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 15.3 tm0? -86.5 3.56 43.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.542 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.8 p80 40.38 38.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.619 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -139.67 -50.85 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.452 ' NH2' ' OE1' ' A' ' 18' ' ' GLN . 1.0 OUTLIER -91.9 -70.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 110.295 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.46 -5.57 59.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mp . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.96 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.442 ' O ' ' CG1' ' A' ' 7' ' ' VAL . 1.0 OUTLIER -80.77 -0.17 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -107.03 44.4 1.49 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.557 ' CG2' ' N ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -121.45 -68.1 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.557 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 1.5 mtmp? 35.09 -94.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.543 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -86.67 48.57 1.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.47 ' HA ' ' CB ' ' A' ' 21' ' ' ARG . 6.9 t -81.89 -52.38 7.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.29 -19.28 63.99 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 16' ' ' TYR . . . -87.75 -39.73 14.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.494 ' CA ' ' OE1' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -69.03 57.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.314 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.59 ' CD2' ' HG2' ' A' ' 17' ' ' GLN . 26.3 p90 -58.8 129.11 40.54 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.59 ' HG2' ' CD2' ' A' ' 16' ' ' TYR . 2.6 pt20 43.17 22.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.505 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -72.22 -0.12 11.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.332 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.559 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 1.5 p80 41.29 41.74 1.55 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 109.591 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.442 ' HA3' ' NH2' ' A' ' 21' ' ' ARG . . . -134.91 -56.25 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.478 ' HD3' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -88.71 -75.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 110.282 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.18 -9.78 58.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 m -39.34 124.61 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.481 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 106.83 23.18 7.24 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.459 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -102.91 -2.42 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.481 ' CE ' ' HA2' ' A' ' 8' ' ' GLY . 3.7 mtmt -45.9 -24.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.582 1.176 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -143.83 48.77 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.241 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.46 ' OG ' ' CZ ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -62.42 -73.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.007 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.94 -22.12 1.11 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.487 1.117 . . . . 0.0 111.083 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.33 -59.81 2.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 0.753 . . . . 0.0 109.305 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 7.6 mm-40 -41.65 -33.08 0.43 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.766 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 3.6 p90 51.06 143.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.509 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.5 pt20 33.29 33.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.613 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -72.51 2.7 5.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 110.243 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 2.1 p80 43.96 37.42 1.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.585 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.69 -51.87 0.08 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.573 1.171 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.799 ' HE ' ' N ' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -106.1 -56.1 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 0.728 . . . . 0.0 110.373 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.799 ' N ' ' HE ' ' A' ' 21' ' ' ARG . . . -84.58 -6.86 59.4 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.257 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.431 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -101.58 0.01 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.454 ' O ' ' NE2' ' A' ' 15' ' ' GLN . . . -109.21 11.74 33.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 110.958 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.419 HG21 ' NZ ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -59.3 -28.94 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.761 . . . . 0.0 109.336 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.49 ' CB ' HD22 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -40.51 -33.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.36 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.505 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -131.27 49.46 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -72.2 -64.81 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.97 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.76 -18.13 16.55 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -89.24 -60.0 2.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.754 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 35.1 mt-30 -38.41 -41.9 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.754 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 1.5 p90 53.37 139.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.401 1.063 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.582 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 0.8 OUTLIER 28.82 38.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.616 ' CG ' ' HB3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -69.68 -1.91 10.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.342 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 1.1 p80 40.16 38.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.555 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.443 ' HA3' ' NH2' ' A' ' 21' ' ' ARG . . . -140.16 -50.54 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.443 ' NH2' ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -92.74 -70.32 0.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 0.754 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.13 -5.09 58.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.3 m -91.95 122.61 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.444 ' O ' ' NE2' ' A' ' 15' ' ' GLN . . . 110.66 3.88 28.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.02 -16.52 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 0.761 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.503 ' C ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.68 -39.33 36.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.503 ' CD1' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -122.97 47.03 2.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -59.86 -62.26 2.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.012 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.84 -16.25 38.18 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -91.22 -63.03 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.626 0.839 . . . . 0.0 109.254 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.702 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -32.48 -56.25 0.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 110.265 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.741 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER 54.49 127.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.945 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.58 ' HG2' ' CD1' ' A' ' 16' ' ' TYR . 1.5 pt20 31.32 38.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.35 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.621 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 6.6 tm0? -74.61 3.97 6.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.621 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 2.3 p80 44.57 42.8 5.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.545 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -125.28 -58.48 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -102.63 -74.4 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.434 0.726 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 23' ' ' LEU . . . -64.82 -12.64 50.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 14.8 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -3.27 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.485 ' O ' ' CD2' ' A' ' 11' ' ' LEU . . . -106.63 1.88 36.56 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.493 1.121 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.4 -23.59 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -29.52 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -140.83 50.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.578 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 1.5 t -65.75 -67.11 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.097 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.87 -13.6 3.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.441 1.088 . . . . 0.0 111.035 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.7 -43.7 7.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 0.746 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.692 ' O ' ' O ' ' A' ' 16' ' ' TYR . 1.2 pt20 -59.47 -49.12 79.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.239 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.692 ' O ' ' O ' ' A' ' 15' ' ' GLN . 1.1 p90 47.98 130.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.533 ' HG2' ' CD1' ' A' ' 16' ' ' TYR . 1.8 pt20 32.74 35.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.639 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 0.9 OUTLIER -77.2 5.68 7.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.279 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.639 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.6 p80 50.94 37.48 17.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.565 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.433 ' HA3' ' NH2' ' A' ' 21' ' ' ARG . . . -133.98 -52.23 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.511 ' HE ' ' N ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -110.17 -69.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 110.314 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -64.74 -14.68 59.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.082 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 22' ' ' ALA . 2.5 pp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 6' ' ' ASP . 1.1 p-10 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.46 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 55.1 t -81.65 5.31 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.483 ' O ' ' CG ' ' A' ' 21' ' ' ARG . . . -108.29 43.45 1.7 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.518 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -124.96 1.6 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.764 . . . . 0.0 109.274 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.505 ' CB ' HD22 ' A' ' 11' ' ' LEU . 2.7 mtmt -45.18 -29.82 1.03 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.505 HD22 ' CB ' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -138.03 45.29 2.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.489 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.2 t -61.51 -69.08 0.26 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.44 -20.5 2.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 16' ' ' TYR . . . -83.96 -55.82 4.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.757 . . . . 0.0 109.36 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.803 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 5.0 mm-40 -38.14 -30.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.803 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 5.6 p90 50.92 138.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.552 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER 29.62 36.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 110.305 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.578 ' N ' ' O ' ' A' ' 16' ' ' TYR . 28.4 tp60 -68.92 -2.11 8.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.456 1.097 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.564 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER 35.91 39.47 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 109.587 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -164.57 -41.48 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.619 ' HE ' ' N ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -88.16 -69.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.786 . . . . 0.0 110.35 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.79 -5.74 58.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.238 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.9 mt . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 -179.921 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.9 t -81.3 3.2 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.435 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . -106.06 23.36 29.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.472 1.107 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.496 HG13 ' CG ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -97.21 1.19 10.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.544 0.79 . . . . 0.0 109.24 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.435 ' CE ' ' HA2' ' A' ' 8' ' ' GLY . 2.4 mtmp? -45.9 -30.13 1.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.435 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -133.6 61.74 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.447 ' HB2' ' CB ' ' A' ' 21' ' ' ARG . 1.2 t -102.71 -66.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.53 -20.02 43.96 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.599 1.187 . . . . 0.0 110.998 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -83.45 -67.47 0.79 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.519 0.776 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.824 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -36.54 -41.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.824 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.1 p90 52.88 145.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.55 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 34.73 32.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.404 1.065 . . . . 0.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.646 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 8.2 tm0? -77.89 1.93 18.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 110.236 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.7 p80 36.01 41.19 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.432 1.083 . . . . 0.0 109.612 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.402 ' HA3' ' NE2' ' A' ' 18' ' ' GLN . . . -135.83 -54.05 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.496 ' CG ' HG13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -101.13 -73.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 110.217 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.79 -12.71 61.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.59 1.181 . . . . 0.0 109.353 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.8 m -91.52 121.82 42.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.432 ' O ' ' NE2' ' A' ' 15' ' ' GLN . . . 107.03 6.35 34.4 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -17.88 22.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.517 0.774 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.496 ' C ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -42.73 -36.3 1.4 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.547 ' O ' ' N ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -122.18 43.77 2.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.267 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.514 ' HA ' ' NE2' ' A' ' 15' ' ' GLN . 0.9 OUTLIER -61.17 -63.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.981 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.96 -13.5 4.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.44 1.087 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.34 -28.01 12.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.242 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.56 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 1.0 OUTLIER -85.24 30.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.532 ' CD2' ' O ' ' A' ' 16' ' ' TYR . 45.4 p90 -54.29 120.88 7.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 16' ' ' TYR . 0.7 OUTLIER 40.78 25.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 110.308 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.475 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 1.4 mm-40 -65.95 -6.93 14.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.579 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 1.1 p80 40.02 41.34 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.658 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.01 -56.69 0.08 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.487 1.117 . . . . 0.0 110.93 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -87.75 -75.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.384 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.472 ' N ' ' OE1' ' A' ' 15' ' ' GLN . . . -76.81 -8.47 57.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 19.0 m -71.79 127.11 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 109.33 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.526 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 102.61 32.37 4.84 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.536 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -114.62 3.42 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 109.342 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.526 ' CE ' ' HA2' ' A' ' 8' ' ' GLY . 0.1 OUTLIER -47.01 -35.96 7.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.563 1.164 . . . . 0.0 109.318 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.537 ' C ' HD21 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -127.52 51.58 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -76.91 -63.36 1.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.35 -20.6 37.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.541 1.15 . . . . 0.0 110.978 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -79.9 -66.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.807 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 2.3 tp-100 -35.04 -40.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.807 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.2 p90 52.74 143.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 111.055 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.546 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 32.77 33.78 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.604 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 46.6 tp60 -74.21 -2.47 24.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 110.372 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.7 p80 35.83 39.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.599 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -154.04 -47.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.448 1.092 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.549 ' NH2' ' CG ' ' A' ' 18' ' ' GLN . 0.9 OUTLIER -92.62 -71.57 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 0.729 . . . . 0.0 110.289 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.29 -7.95 56.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.248 179.973 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.447 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 1.1 t -104.64 -2.34 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.32 37.12 3.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.447 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -114.73 -1.42 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.229 -179.974 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.442 ' CE ' ' O ' ' A' ' 7' ' ' VAL . 1.9 mtmp? -50.44 -21.94 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.454 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -131.99 47.2 2.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.952 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.6 -69.39 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.56 -23.53 1.39 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.514 1.133 . . . . 0.0 110.998 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -76.35 -61.83 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.774 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.684 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -36.07 -51.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.734 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 0.5 OUTLIER 52.15 125.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 -179.948 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.559 ' HG2' ' CD1' ' A' ' 16' ' ' TYR . 1.9 pt20 32.82 34.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.603 1.189 . . . . 0.0 110.269 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.531 ' N ' ' O ' ' A' ' 16' ' ' TYR . 1.5 tp60 -84.67 3.66 36.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.367 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.567 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 1.4 p80 42.28 40.63 1.85 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.516 1.135 . . . . 0.0 109.605 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.451 ' N ' ' HB3' ' A' ' 23' ' ' LEU . . . -130.48 -54.64 0.1 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.375 1.047 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.451 ' CZ ' ' NE2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -106.67 -72.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 110.251 -179.942 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.545 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . -65.37 -11.63 44.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.545 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.9 t70 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 1.1 t -82.2 4.83 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.483 ' HA2' ' NZ ' ' A' ' 10' ' ' LYS . . . -120.69 51.55 0.77 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -112.39 -20.91 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 0.774 . . . . 0.0 109.23 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.483 ' NZ ' ' HA2' ' A' ' 8' ' ' GLY . 0.1 OUTLIER -42.12 -32.03 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -126.34 51.9 1.76 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -79.33 -63.31 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.969 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.9 -22.63 27.85 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.423 1.077 . . . . 0.0 111.077 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -81.4 -65.87 0.96 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.488 0.758 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.712 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 1.9 mp0 -35.62 -51.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.712 ' CD2' ' O ' ' A' ' 15' ' ' GLN . 0.6 OUTLIER 54.24 131.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.945 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.55 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.4 pt20 31.57 36.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.636 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 36.5 tp60 -77.6 1.13 20.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.636 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 2.8 p80 41.57 35.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.583 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -161.59 -42.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.517 ' HE ' ' N ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -75.89 -62.12 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 110.287 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -97.56 -4.51 37.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 22' ' ' ALA . 2.5 pp . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 7' ' ' VAL . 5.6 m-20 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 6' ' ' ASP . 6.1 m -38.86 127.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.461 ' HA2' ' HE2' ' A' ' 10' ' ' LYS . . . 107.07 30.93 4.01 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.599 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -127.0 9.0 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 0.726 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -35.29 -36.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -148.77 52.51 0.98 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.118 . . . . 0.0 109.348 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.52 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -61.56 -69.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.085 . . . . 0.0 109.997 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.65 -19.2 4.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.441 ' C ' ' N ' ' A' ' 16' ' ' TYR . . . -86.45 -52.39 5.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.804 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 2.5 mm-40 -40.16 -28.55 0.06 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.804 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 7.1 p90 50.61 136.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 111.03 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.538 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER 30.94 36.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.372 -179.932 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.54 ' N ' ' O ' ' A' ' 16' ' ' TYR . 20.1 tm0? -66.24 -4.47 7.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.551 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 1.0 OUTLIER 38.9 39.55 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.671 -179.93 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.402 ' CA ' ' OE1' ' A' ' 18' ' ' GLN . . . -165.52 -42.64 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.563 1.164 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.52 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -88.73 -69.73 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 0.741 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.68 -6.66 56.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.5 m -106.55 119.89 56.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.475 ' HA3' ' CG ' ' A' ' 21' ' ' ARG . . . 108.19 4.33 33.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.422 1.076 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.17 -6.03 5.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.771 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.478 ' C ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -57.05 -32.86 66.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -122.39 42.75 3.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.919 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.522 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 1.2 t -64.55 -62.84 1.34 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 110.077 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.89 -14.19 3.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.52 -41.71 6.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 0.806 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.764 ' O ' ' O ' ' A' ' 16' ' ' TYR . 1.6 pt20 -63.86 -48.66 75.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.764 ' O ' ' O ' ' A' ' 15' ' ' GLN . 1.0 OUTLIER 40.95 121.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.383 1.052 . . . . 0.0 111.042 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.565 ' HG2' ' CD1' ' A' ' 16' ' ' TYR . 2.4 pt20 31.64 36.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.611 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -60.0 -7.6 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.611 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.9 p80 47.28 33.71 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.516 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -143.09 -45.61 0.05 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.475 ' CG ' ' HA3' ' A' ' 8' ' ' GLY . 1.0 OUTLIER -93.58 -66.43 0.92 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 0.768 . . . . 0.0 110.28 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.17 -4.17 56.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.9 t -75.45 133.92 30.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.512 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 98.6 34.5 5.24 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.105 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.652 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -122.94 12.36 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.537 ' CG ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -47.37 -22.14 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.554 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -155.18 50.96 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 179.968 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.497 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.3 t -69.81 -73.89 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 0.0 109.975 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.92 -23.23 1.44 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.425 1.078 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.467 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -74.83 -66.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 0.797 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.827 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -33.88 -40.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.296 179.957 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.827 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.4 p90 52.55 146.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.542 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 33.79 32.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.657 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 41.1 tp60 -79.98 0.49 31.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.523 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER 32.39 40.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.631 179.965 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . -154.7 -47.27 0.02 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.53 ' NH2' ' CG ' ' A' ' 18' ' ' GLN . 1.1 mpp_? -88.36 -69.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.58 0.812 . . . . 0.0 110.294 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . -83.08 -4.74 58.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 3.4 t -80.0 2.76 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.73 45.43 1.3 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.582 ' O ' ' N ' ' A' ' 11' ' ' LEU . 1.0 OUTLIER -126.03 -72.74 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.497 0.763 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.543 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 1.7 mtmp? 38.85 -91.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -92.72 43.53 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 9' ' ' ILE . 2.1 t -65.81 -56.09 13.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 110.039 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.9 -13.48 47.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.04 -52.15 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.755 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 5.7 mm-40 -47.4 -34.22 6.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.357 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.755 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.8 p90 51.05 142.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.524 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 pt20 32.38 34.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.617 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 9.7 tt0 -73.46 3.45 6.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.7 p80 48.68 35.84 6.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 109.575 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -121.25 -55.22 0.23 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.628 ' HE ' ' N ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -113.6 -46.33 3.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 0.75 . . . . 0.0 110.304 -179.949 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.628 ' N ' ' HE ' ' A' ' 21' ' ' ARG . . . -78.85 -22.3 46.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 t -70.49 132.74 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 10' ' ' LYS . . . 88.14 -48.65 3.66 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.649 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.0 OUTLIER 36.67 31.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 109.254 -179.952 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -59.29 -55.54 33.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.949 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.464 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -102.03 60.93 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.48 ' CB ' HG12 ' A' ' 9' ' ' ILE . 1.2 t -106.53 -58.1 1.97 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.608 1.192 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.08 -15.39 62.84 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -88.03 -63.45 1.3 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 0.759 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.777 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -34.86 -46.13 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.777 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 1.3 p90 53.38 144.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.627 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 0.1 OUTLIER 35.13 30.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.391 1.057 . . . . 0.0 110.251 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.633 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 45.0 tp60 -78.53 0.78 24.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 110.378 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.3 p80 34.78 38.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.566 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . -148.17 -48.12 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.492 ' HE ' ' N ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -93.87 -70.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.68 -6.3 58.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.9 mp . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.984 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.9 m -97.2 120.74 46.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.444 ' O ' ' NH1' ' A' ' 21' ' ' ARG . . . 106.91 4.0 36.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.434 HG12 ' CG ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -54.82 -28.17 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.783 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -12.29 44.71 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.14 48.12 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -85.42 -67.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.06 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.92 -21.66 1.72 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.65 -60.96 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.759 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 38.0 mt-30 -43.87 -32.98 1.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.223 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.759 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 3.5 p90 50.98 145.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 111.047 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.541 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 30.69 34.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.351 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.584 ' N ' ' O ' ' A' ' 16' ' ' TYR . 10.2 tm0? -75.03 1.04 13.98 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.404 1.065 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.589 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.9 OUTLIER 37.19 42.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.617 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.98 -53.36 0.1 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.389 1.055 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.65 HH22 ' NE2' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -103.92 -74.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.403 0.708 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.91 -13.08 61.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.223 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 26.5 t80 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.539 0.209 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.482 ' N ' ' ND2' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -40.83 137.83 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.488 ' N ' ' HD3' ' A' ' 4' ' ' PRO . . . 57.77 60.94 6.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.488 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 18.3 Cg_endo -74.98 2.53 6.52 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.502 1.79 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -64.91 -135.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.441 1.088 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -73.95 -3.63 30.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 t -77.33 125.65 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.506 ' O ' ' CG ' ' A' ' 21' ' ' ARG . . . 108.82 8.75 27.6 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.427 1.079 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -77.93 -12.59 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 109.219 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.464 ' CB ' HD13 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -54.32 -18.85 4.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.482 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -141.45 53.21 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.464 ' HA ' ' CB ' ' A' ' 21' ' ' ARG . 1.2 t -79.08 -69.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.068 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.17 -21.61 2.78 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -77.48 -61.34 2.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.566 0.804 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.724 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -35.38 -44.2 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 110.274 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.724 ' CD2' ' O ' ' A' ' 15' ' ' GLN . 1.6 p90 49.41 122.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.571 ' HG2' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER 32.63 34.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.28 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.534 ' N ' ' O ' ' A' ' 16' ' ' TYR . 1.1 tp60 -83.31 2.97 33.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 0.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.563 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 1.2 p80 41.18 39.59 0.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.61 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.33 -53.58 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -92.96 -72.0 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 110.359 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.33 -5.22 54.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 69.03 37.24 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.2 t80 . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.545 0.212 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -43.89 138.72 2.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.488 ' HB1' ' CE2' ' A' ' 5' ' ' PHE . . . -89.26 169.21 13.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.385 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.503 ' O ' ' C ' ' A' ' 5' ' ' PHE . 18.3 Cg_endo -74.97 3.81 5.27 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 0.0 111.069 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.503 ' C ' ' O ' ' A' ' 4' ' ' PRO . 16.0 m-85 -28.64 -90.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -96.15 -37.96 10.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 3' ' ' ALA . 10.0 m -43.97 124.96 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.482 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 104.06 27.54 6.2 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -104.14 -6.72 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 0.727 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.493 ' C ' ' CD1' ' A' ' 11' ' ' LEU . 4.4 mtmt -39.44 -37.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.368 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.493 ' CD1' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -122.69 48.55 1.76 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' ILE . 1.4 t -77.38 -63.96 1.25 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.37 -18.32 9.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.66 -36.22 14.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 0.775 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.453 ' OE1' ' NE ' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -76.06 47.93 0.47 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.542 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -55.87 133.37 51.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 111.067 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 16' ' ' TYR . 0.6 OUTLIER 42.44 21.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 16' ' ' TYR . 21.2 tp60 -76.32 2.79 12.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 110.214 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.567 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 1.2 p80 40.79 39.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.419 ' HA3' ' NH2' ' A' ' 21' ' ' ARG . . . -130.77 -54.39 0.09 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.528 1.143 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.525 ' N ' ' NE ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -101.15 -74.12 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 0.734 . . . . 0.0 110.342 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.582 ' O ' ' CG ' ' A' ' 23' ' ' LEU . . . -70.35 -18.39 63.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.582 ' CG ' ' O ' ' A' ' 22' ' ' ALA . 0.3 OUTLIER 90.64 -177.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . 0.418 ' N ' ' CD1' ' A' ' 23' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.523 0.201 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.532 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 0.7 OUTLIER -90.25 130.27 36.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.502 ' N ' ' HD3' ' A' ' 4' ' ' PRO . . . 41.57 60.33 8.65 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.502 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 18.1 Cg_endo -75.01 2.08 7.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -63.07 -132.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -75.55 -0.63 21.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 36.6 t -84.46 7.44 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.454 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . -109.04 22.01 26.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.518 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -93.65 2.51 9.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.576 0.81 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.454 ' CE ' ' HA2' ' A' ' 8' ' ' GLY . 2.6 mtmp? -49.24 -23.98 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.36 57.14 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.412 ' HA ' ' CB ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -90.4 -67.95 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.035 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.88 -22.06 8.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.402 1.064 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -80.65 -66.67 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.741 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -37.25 -48.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.741 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 1.0 OUTLIER 53.95 135.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.163 . . . . 0.0 111.007 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.56 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 pt20 31.76 37.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.315 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.564 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 4.7 tm0? -85.79 3.08 43.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.438 1.087 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.564 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 2.2 p80 39.62 39.56 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.574 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.41 ' HA3' ' NH2' ' A' ' 21' ' ' ARG . . . -141.85 -51.31 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.412 ' CB ' ' HA ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -84.86 -72.79 0.46 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 0.763 . . . . 0.0 110.26 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.34 -5.92 59.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 mp 64.0 -98.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.4 t80 . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 120.518 0.199 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.609 ' O ' ' CD1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -43.68 120.1 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.604 ' O ' ' CD2' ' A' ' 5' ' ' PHE . . . -41.67 -51.46 9.21 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 3' ' ' ALA . 18.1 Cg_endo -75.01 80.69 2.38 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.441 1.758 . . . . 0.0 110.973 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.609 ' CD1' ' O ' ' A' ' 2' ' ' ASN . 6.6 m-85 -80.34 -137.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -19.55 24.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.424 1.078 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 6.2 t -82.06 3.51 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.99 38.21 3.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.48 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -117.66 0.34 8.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 0.748 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.462 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 1.4 mtmp? -46.77 -29.02 1.72 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -128.85 48.94 2.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.397 1.061 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.4 ' HA ' ' CB ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -77.91 -66.05 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 110.098 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.55 -20.8 4.12 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.451 1.094 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' TYR . . . -85.49 -41.45 15.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 0.805 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.458 ' HG3' ' CG ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -68.7 56.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.585 ' CD2' ' HG2' ' A' ' 17' ' ' GLN . 26.0 p90 -57.79 128.42 36.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.585 ' HG2' ' CD2' ' A' ' 16' ' ' TYR . 2.7 pt20 43.62 22.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.336 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.467 ' N ' ' C ' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -72.49 -0.26 12.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.243 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.579 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 1.3 p80 38.38 44.17 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.578 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.444 ' HA3' ' NH2' ' A' ' 21' ' ' ARG . . . -136.87 -57.76 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.449 ' NE ' ' OE1' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -81.29 -76.66 0.24 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 0.766 . . . . 0.0 110.339 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . -72.26 -9.73 58.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.496 ' O ' ' CD1' ' A' ' 23' ' ' LEU . 1.4 pp 37.4 80.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.448 ' O ' ' N ' ' A' ' 3' ' ' ALA . 63.7 t80 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.519 0.2 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.499 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 1.1 p30 -67.5 70.13 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.147 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.507 ' N ' ' HD3' ' A' ' 4' ' ' PRO . . . -164.99 59.72 0.68 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.507 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 18.3 Cg_endo -75.03 3.69 5.41 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.419 1.747 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.515 ' O ' ' C ' ' A' ' 6' ' ' ASP . 20.0 m-85 -58.62 -123.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.515 ' C ' ' O ' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -30.75 -46.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 3' ' ' ALA . 1.6 m -59.76 127.39 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.488 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 108.57 24.24 6.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.499 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -106.88 0.67 10.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.463 0.743 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.488 ' CE ' ' HA2' ' A' ' 8' ' ' GLY . 0.9 OUTLIER -41.37 -28.62 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -142.78 56.01 1.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.497 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.2 t -77.23 -68.33 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.46 -18.19 9.8 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -82.67 -65.13 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.82 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 2.2 tp-100 -36.43 -37.89 0.14 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.406 1.066 . . . . 0.0 110.264 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.82 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.6 p90 52.72 144.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.543 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER 32.59 33.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.585 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 40.0 tp60 -73.62 -1.58 19.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 2.0 p80 36.72 38.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.59 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -156.66 -45.59 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.445 1.09 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.536 ' HE ' ' N ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -86.51 -70.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 0.718 . . . . 0.0 110.341 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.47 -6.68 59.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 57.21 61.5 2.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 64.7 t80 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.505 0.193 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.483 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 0.2 OUTLIER -44.35 140.42 2.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.351 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.495 ' N ' ' HD3' ' A' ' 4' ' ' PRO . . . 53.73 60.69 11.27 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.495 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 18.5 Cg_endo -74.99 1.53 7.63 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -67.23 -135.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 111.027 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -57.12 -18.04 13.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.242 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 2.9 t -78.04 -0.37 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.504 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . -100.3 48.24 1.21 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.566 1.166 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.6 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -135.04 9.48 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.444 0.732 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.562 ' CG ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -47.14 -24.26 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 109.233 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.562 ' CD1' ' CG ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -146.07 54.06 1.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.586 1.179 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.472 ' HB2' ' CG1' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -73.35 -69.39 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.95 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.76 -22.5 2.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.06 -42.16 21.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 0.762 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.481 ' HG3' ' CG ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -77.02 45.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.491 ' O ' ' N ' ' A' ' 18' ' ' GLN . 1.0 OUTLIER -51.52 133.23 30.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 16' ' ' TYR . 0.7 OUTLIER 41.39 23.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -77.27 3.59 12.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.579 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 1.1 p80 39.82 41.17 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.625 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.515 ' CA ' ' NH2' ' A' ' 21' ' ' ARG . . . -132.52 -56.97 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.423 1.077 . . . . 0.0 111.029 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.515 ' NH2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -90.54 -76.02 0.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 0.753 . . . . 0.0 110.333 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.16 -8.26 55.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.377 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 71.19 41.18 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 25.9 t80 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.451 0.167 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.47 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 1.4 p30 -72.73 59.71 0.48 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.517 ' CB ' ' CD ' ' A' ' 4' ' ' PRO . . . 176.98 -178.2 0.17 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.524 ' O ' ' C ' ' A' ' 5' ' ' PHE . 18.3 Cg_endo -74.99 4.16 4.98 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 110.968 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.524 ' C ' ' O ' ' A' ' 4' ' ' PRO . 47.4 m-85 -27.38 -89.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.132 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -99.43 -35.19 9.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 3' ' ' ALA . 12.6 m -45.71 129.3 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.503 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 101.66 35.22 4.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.559 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -127.28 5.85 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.571 ' CG ' ' CD1' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -44.77 -24.68 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.571 ' CD1' ' CG ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -148.15 56.38 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.502 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 0.9 OUTLIER -74.22 -70.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.057 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.52 -19.11 5.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.569 1.168 . . . . 0.0 111.026 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -80.84 -65.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.82 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 6.1 tp-100 -36.23 -36.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.82 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.7 p90 52.48 144.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.042 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.536 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 33.06 33.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.579 1.175 . . . . 0.0 110.336 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.58 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 39.1 tp60 -73.95 -1.96 21.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 110.259 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.482 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.3 p80 34.99 39.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.574 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.42 ' HA3' ' NH2' ' A' ' 21' ' ' ARG . . . -156.74 -46.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.497 1.123 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.502 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -86.56 -69.68 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.6 0.824 . . . . 0.0 110.376 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.33 -5.11 59.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.3 mt 43.29 60.23 2.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.413 1.07 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.403 ' O ' ' CG ' ' A' ' 1' ' ' PHE . 10.6 t80 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.535 0.207 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.575 ' HA ' ' CZ ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -99.12 68.1 1.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.511 ' N ' ' CD ' ' A' ' 4' ' ' PRO . . . 163.56 -52.19 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 3' ' ' ALA . 18.3 Cg_endo -74.97 3.88 5.21 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.53 1.805 . . . . 0.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' A' ' 2' ' ' ASN . 46.4 m-85 -27.46 -88.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -99.72 -36.51 9.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 3' ' ' ALA . 14.2 m -42.51 122.79 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 107.18 14.88 17.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.457 1.098 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.484 ' CG1' ' HG2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -81.85 1.72 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.563 0.801 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.499 ' C ' ' CD1' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -64.2 -35.75 81.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.499 ' CD1' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -126.18 45.25 2.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -65.5 -64.27 0.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 109.996 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.14 -17.33 10.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -88.29 -58.56 2.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.337 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.752 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 34.8 mt-30 -38.81 -40.43 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.752 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 1.7 p90 52.72 140.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.57 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 0.8 OUTLIER 28.93 37.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.529 1.143 . . . . 0.0 110.348 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.599 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 16.3 tp60 -71.2 -0.82 10.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.555 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 1.1 p80 39.85 39.23 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.629 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.428 ' HA3' ' NH2' ' A' ' 21' ' ' ARG . . . -144.85 -49.7 0.03 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.484 ' HG2' ' CG1' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -93.48 -72.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 0.0 110.277 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . -76.32 -6.01 49.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER 37.07 62.55 0.79 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 109.361 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.526 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 55.6 t80 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.53 0.205 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.55 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 0.2 OUTLIER -97.55 68.55 2.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.511 ' O ' ' CE2' ' A' ' 5' ' ' PHE . . . -75.57 -53.74 2.5 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 3' ' ' ALA . 18.2 Cg_endo -75.1 -21.64 15.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.54 1.811 . . . . 0.0 110.973 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.548 ' CE1' ' O ' ' A' ' 2' ' ' ASN . 67.2 m-85 59.78 -80.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 4' ' ' PRO . 1.4 m-20 -172.25 32.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.51 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 1.2 t -102.09 2.26 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.454 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . -105.52 24.53 27.12 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.511 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -99.04 3.5 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.42 0.717 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.488 ' C ' ' CD1' ' A' ' 11' ' ' LEU . 2.2 mtmp? -48.41 -32.45 7.66 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.488 ' CD1' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -125.1 57.71 1.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.477 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.4 t -96.65 -64.07 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.024 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.75 -19.92 37.76 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -82.61 -66.28 0.91 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 0.772 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.812 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -35.22 -42.97 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.812 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 1.9 p90 52.94 143.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.553 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 pt20 33.88 33.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.078 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.671 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 48.2 tp60 -79.26 0.2 29.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.492 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.9 OUTLIER 33.47 40.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.627 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . -150.41 -48.91 0.02 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.546 ' NH2' ' CG ' ' A' ' 18' ' ' GLN . 1.0 OUTLIER -84.24 -71.6 0.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 0.75 . . . . 0.0 110.22 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . -84.16 -5.12 59.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.7 OUTLIER 36.18 -150.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.366 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.448 ' O ' ' N ' ' A' ' 3' ' ' ALA . 10.9 t80 . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.477 0.18 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.452 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 1.3 p30 -65.04 76.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.554 ' N ' ' HD3' ' A' ' 4' ' ' PRO . . . -154.66 56.82 1.55 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.554 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 18.4 Cg_endo -74.96 1.01 8.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.405 1.739 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 4' ' ' PRO . 19.1 m-85 -34.03 -82.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 7' ' ' VAL . 72.1 m-20 -92.57 -51.72 4.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 3' ' ' ALA . 5.9 m -39.47 126.02 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.504 ' O ' ' CG ' ' A' ' 21' ' ' ARG . . . 105.05 28.21 5.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.542 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -111.55 4.01 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.495 ' CE ' ' HA2' ' A' ' 8' ' ' GLY . 5.2 mtmt -36.77 -36.35 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.568 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -144.16 48.6 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.483 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.4 t -61.33 -69.15 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.66 -20.48 2.76 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.09 -49.6 9.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.781 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.756 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 6.9 mm-40 -48.43 -35.47 12.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.756 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.5 p90 51.24 140.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.535 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 32.31 34.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.319 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.557 HE22 ' NH2' ' A' ' 21' ' ' ARG . 19.6 tm0? -69.63 -2.97 13.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 1.1 p80 39.63 39.14 0.48 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.574 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.431 ' CA ' ' OE1' ' A' ' 18' ' ' GLN . . . -165.52 -42.63 0.02 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.491 1.119 . . . . 0.0 111.068 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.628 ' HE ' ' N ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -89.22 -69.0 0.74 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 0.781 . . . . 0.0 110.293 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.05 -6.35 56.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.409 1.068 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt 50.24 65.29 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.41 ' O ' ' CD ' ' A' ' 4' ' ' PRO . 13.6 t80 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.524 0.202 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.489 ' O ' ' CB ' ' A' ' 3' ' ' ALA . 0.2 OUTLIER -44.38 122.6 3.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.501 ' N ' ' CD ' ' A' ' 4' ' ' PRO . . . 164.45 -52.79 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 3' ' ' ALA . 18.4 Cg_endo -75.0 79.44 2.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -48.5 -84.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.25 16.95 1.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 1.2 t -88.38 1.19 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -105.81 34.14 5.98 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.488 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -109.27 2.1 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.443 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 1.7 mtmp? -51.22 -23.69 3.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.498 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -130.39 50.76 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.26 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.95 -67.89 0.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 110.045 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.87 -21.8 2.54 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -79.95 -66.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 0.737 . . . . 0.0 109.357 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.696 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -37.57 -50.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.703 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 0.7 OUTLIER 53.54 132.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 0.0 110.962 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.54 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 pt20 30.98 37.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.257 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.542 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 15.3 tm0? -86.5 3.56 43.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.542 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.8 p80 40.38 38.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.619 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -139.67 -50.85 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.452 ' NH2' ' OE1' ' A' ' 18' ' ' GLN . 1.0 OUTLIER -91.9 -70.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 110.295 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.46 -5.57 59.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mp 74.11 170.23 0.3 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . 0.401 ' N ' ' HA ' ' A' ' 19' ' ' HIS . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.1 t80 . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.573 0.225 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.474 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 0.9 OUTLIER -71.55 -175.03 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.633 ' HB1' ' CZ ' ' A' ' 5' ' ' PHE . . . -52.88 -173.32 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.597 ' CD ' ' CB ' ' A' ' 3' ' ' ALA . 18.4 Cg_endo -75.03 3.62 5.47 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.633 ' CZ ' ' HB1' ' A' ' 3' ' ' ALA . 16.3 m-85 -25.75 -86.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -141.63 13.76 2.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.442 ' O ' ' CG1' ' A' ' 7' ' ' VAL . 1.0 OUTLIER -80.77 -0.17 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -107.03 44.4 1.49 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.557 ' CG2' ' N ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -121.45 -68.1 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.557 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 1.5 mtmp? 35.09 -94.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.543 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -86.67 48.57 1.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.47 ' HA ' ' CB ' ' A' ' 21' ' ' ARG . 6.9 t -81.89 -52.38 7.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.29 -19.28 63.99 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 16' ' ' TYR . . . -87.75 -39.73 14.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.494 ' CA ' ' OE1' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -69.03 57.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.314 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.59 ' CD2' ' HG2' ' A' ' 17' ' ' GLN . 26.3 p90 -58.8 129.11 40.54 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.59 ' HG2' ' CD2' ' A' ' 16' ' ' TYR . 2.6 pt20 43.17 22.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.505 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -72.22 -0.12 11.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.332 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.559 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 1.5 p80 41.29 41.74 1.55 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 109.591 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.442 ' HA3' ' NH2' ' A' ' 21' ' ' ARG . . . -134.91 -56.25 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.478 ' HD3' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -88.71 -75.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 110.282 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.18 -9.78 58.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 65.31 -99.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 45.7 t80 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.472 0.177 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.572 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -102.0 45.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 109.267 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.564 ' N ' ' HD3' ' A' ' 4' ' ' PRO . . . -150.0 56.27 2.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.564 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 18.7 Cg_endo -74.93 1.06 8.11 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 4' ' ' PRO . 26.7 m-85 -34.04 -82.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.91 -50.81 5.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 3' ' ' ALA . 5.2 m -39.34 124.61 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.481 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 106.83 23.18 7.24 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.459 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -102.91 -2.42 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.481 ' CE ' ' HA2' ' A' ' 8' ' ' GLY . 3.7 mtmt -45.9 -24.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.582 1.176 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -143.83 48.77 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.241 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.46 ' OG ' ' CZ ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -62.42 -73.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.007 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.94 -22.12 1.11 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.487 1.117 . . . . 0.0 111.083 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.33 -59.81 2.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 0.753 . . . . 0.0 109.305 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 7.6 mm-40 -41.65 -33.08 0.43 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.766 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 3.6 p90 51.06 143.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.509 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.5 pt20 33.29 33.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.613 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -72.51 2.7 5.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 110.243 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 2.1 p80 43.96 37.42 1.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.585 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.69 -51.87 0.08 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.573 1.171 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.799 ' HE ' ' N ' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -106.1 -56.1 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 0.728 . . . . 0.0 110.373 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.799 ' N ' ' HE ' ' A' ' 21' ' ' ARG . . . -84.58 -6.86 59.4 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 67.93 162.38 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.257 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.2 t80 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.523 0.201 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.467 ' HA ' ' CG2' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -40.77 125.96 2.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.515 ' CB ' ' CD ' ' A' ' 4' ' ' PRO . . . -168.4 -178.17 0.58 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.515 ' CD ' ' CB ' ' A' ' 3' ' ' ALA . 18.2 Cg_endo -75.05 1.82 7.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -72.95 -137.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.057 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -81.84 54.01 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' A' ' 2' ' ' ASN . 0.4 OUTLIER -101.58 0.01 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.454 ' O ' ' NE2' ' A' ' 15' ' ' GLN . . . -109.21 11.74 33.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 110.958 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.419 HG21 ' NZ ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -59.3 -28.94 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.761 . . . . 0.0 109.336 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.49 ' CB ' HD22 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -40.51 -33.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.36 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.505 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -131.27 49.46 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -72.2 -64.81 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.97 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.76 -18.13 16.55 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -89.24 -60.0 2.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.754 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 35.1 mt-30 -38.41 -41.9 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.754 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 1.5 p90 53.37 139.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.401 1.063 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.582 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 0.8 OUTLIER 28.82 38.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.616 ' CG ' ' HB3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -69.68 -1.91 10.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.342 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 1.1 p80 40.16 38.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.555 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.443 ' HA3' ' NH2' ' A' ' 21' ' ' ARG . . . -140.16 -50.54 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.453 ' NH1' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -92.74 -70.32 0.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 0.754 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.13 -5.09 58.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mp 68.64 174.53 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.45 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 38.8 t80 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.505 0.193 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.587 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -100.77 46.19 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.229 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 173.81 166.2 0.31 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.529 ' O ' ' N ' ' A' ' 6' ' ' ASP . 18.3 Cg_endo -74.95 -32.84 5.13 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.508 1.794 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.43 ' HB2' ' O ' ' A' ' 4' ' ' PRO . 58.1 m-85 58.21 -77.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 4' ' ' PRO . 1.0 OUTLIER -140.37 14.55 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.269 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.473 ' CG2' ' HA ' ' A' ' 4' ' ' PRO . 4.3 m -91.95 122.61 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.444 ' O ' ' NE2' ' A' ' 15' ' ' GLN . . . 110.66 3.88 28.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.02 -16.52 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 0.761 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.503 ' C ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.68 -39.33 36.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.503 ' CD1' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -122.97 47.03 2.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -59.86 -62.26 2.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.012 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.84 -16.25 38.18 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -91.22 -63.03 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.626 0.839 . . . . 0.0 109.254 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.702 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -32.48 -56.25 0.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 110.265 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.741 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER 54.49 127.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.945 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.58 ' HG2' ' CD1' ' A' ' 16' ' ' TYR . 1.5 pt20 31.32 38.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.35 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.621 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 6.6 tm0? -74.61 3.97 6.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.621 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 2.3 p80 44.57 42.8 5.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.545 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -125.28 -58.48 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -102.63 -74.4 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.434 0.726 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 23' ' ' LEU . . . -64.82 -12.64 50.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 14.8 mt 68.04 41.42 2.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 3' ' ' ALA . 4.0 t80 . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.473 0.178 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.427 ' ND2' ' N ' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -40.96 97.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.506 ' O ' ' CG2' ' A' ' 7' ' ' VAL . . . -137.7 60.42 24.85 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 109.349 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.5 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 18.2 Cg_endo -75.05 1.14 8.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.494 1.786 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 7' ' ' VAL . 7.7 m-85 -68.33 -134.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.68 71.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -117.12 -3.27 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.485 ' O ' ' CD2' ' A' ' 11' ' ' LEU . . . -106.63 1.88 36.56 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.493 1.121 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.4 -23.59 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -29.52 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -140.83 50.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.578 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 1.5 t -65.75 -67.11 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.097 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.87 -13.6 3.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.441 1.088 . . . . 0.0 111.035 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.7 -43.7 7.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 0.746 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.692 ' O ' ' O ' ' A' ' 16' ' ' TYR . 1.2 pt20 -59.47 -49.12 79.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.239 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.692 ' O ' ' O ' ' A' ' 15' ' ' GLN . 1.1 p90 47.98 130.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.533 ' HG2' ' CD1' ' A' ' 16' ' ' TYR . 1.8 pt20 32.74 35.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.639 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 0.9 OUTLIER -77.2 5.68 7.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.279 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.639 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.6 p80 50.94 37.48 17.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.565 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.433 ' HA3' ' NH2' ' A' ' 21' ' ' ARG . . . -133.98 -52.23 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.511 ' HE ' ' N ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -110.17 -69.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 110.314 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -64.74 -14.68 59.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.082 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.464 ' CD1' ' N ' ' A' ' 224' ' ' NH2 . 2.5 pp 43.82 -166.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . 0.464 ' N ' ' CD1' ' A' ' 23' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.583 1.177 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.9 t80 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.501 0.191 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.413 ' C ' ' HD3' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -43.49 155.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.76 66.4 78.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.413 ' HD3' ' C ' ' A' ' 2' ' ' ASN . 18.2 Cg_endo -74.99 4.4 4.76 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -64.88 -138.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 6' ' ' ASP . 1.1 p-10 -54.82 -19.34 6.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.241 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.46 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 55.1 t -81.65 5.31 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.483 ' O ' ' CG ' ' A' ' 21' ' ' ARG . . . -108.29 43.45 1.7 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.518 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -124.96 1.6 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.764 . . . . 0.0 109.274 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.505 ' CB ' HD22 ' A' ' 11' ' ' LEU . 2.7 mtmt -45.18 -29.82 1.03 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.505 HD22 ' CB ' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -138.03 45.29 2.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.489 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.2 t -61.51 -69.08 0.26 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.44 -20.5 2.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 16' ' ' TYR . . . -83.96 -55.82 4.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.757 . . . . 0.0 109.36 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.803 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 5.0 mm-40 -38.14 -30.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.803 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 5.6 p90 50.92 138.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.552 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER 29.62 36.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 110.305 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.578 ' N ' ' O ' ' A' ' 16' ' ' TYR . 28.4 tp60 -68.92 -2.11 8.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.456 1.097 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.564 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER 35.91 39.47 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 109.587 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -164.57 -41.48 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.619 ' HE ' ' N ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -88.16 -69.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.786 . . . . 0.0 110.35 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.79 -5.74 58.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.238 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.9 mt 48.46 56.25 7.78 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 73.1 t80 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.516 0.198 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.583 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -99.54 44.98 1.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.425 1.078 . . . . 0.0 109.296 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.591 ' O ' ' CD2' ' A' ' 5' ' ' PHE . . . 177.95 151.64 0.43 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 5' ' ' PHE . 18.4 Cg_endo -75.0 57.24 4.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 3' ' ' ALA . 24.6 m-85 -60.38 -131.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -95.61 12.5 29.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.9 t -81.3 3.2 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.435 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . -106.06 23.36 29.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.472 1.107 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.496 HG13 ' CG ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -97.21 1.19 10.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.544 0.79 . . . . 0.0 109.24 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.435 ' CE ' ' HA2' ' A' ' 8' ' ' GLY . 2.4 mtmp? -45.9 -30.13 1.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.435 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -133.6 61.74 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.447 ' HB2' ' CB ' ' A' ' 21' ' ' ARG . 1.2 t -102.71 -66.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.53 -20.02 43.96 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.599 1.187 . . . . 0.0 110.998 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -83.45 -67.47 0.79 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.519 0.776 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.824 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -36.54 -41.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.824 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.1 p90 52.88 145.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.55 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 34.73 32.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.404 1.065 . . . . 0.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.646 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 8.2 tm0? -77.89 1.93 18.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 110.236 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.7 p80 36.01 41.19 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.432 1.083 . . . . 0.0 109.612 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.402 ' HA3' ' NE2' ' A' ' 18' ' ' GLN . . . -135.83 -54.05 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.496 ' CG ' HG13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -101.13 -73.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 110.217 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.79 -12.71 61.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.59 1.181 . . . . 0.0 109.353 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 72.52 166.86 0.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 3' ' ' ALA . 28.3 t80 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.556 0.217 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.593 ' HB2' ' CD1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -49.76 91.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.26 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.547 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . . . -85.14 -58.86 0.34 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.18 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.547 ' HD3' ' CB ' ' A' ' 3' ' ' ALA . 18.3 Cg_endo -75.05 78.82 2.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.593 ' CD1' ' HB2' ' A' ' 2' ' ' ASN . 38.8 m-85 -147.72 -88.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 111.061 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -92.84 28.78 1.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.594 1.184 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 3' ' ' ALA . 16.8 m -91.52 121.82 42.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.432 ' O ' ' NE2' ' A' ' 15' ' ' GLN . . . 107.03 6.35 34.4 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -17.88 22.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.517 0.774 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.496 ' C ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -42.73 -36.3 1.4 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.547 ' O ' ' N ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -122.18 43.77 2.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.267 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.514 ' HA ' ' NE2' ' A' ' 15' ' ' GLN . 0.9 OUTLIER -61.17 -63.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.981 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.96 -13.5 4.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.44 1.087 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.34 -28.01 12.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.242 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.56 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 1.0 OUTLIER -85.24 30.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.532 ' CD2' ' O ' ' A' ' 16' ' ' TYR . 45.4 p90 -54.29 120.88 7.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 16' ' ' TYR . 0.7 OUTLIER 40.78 25.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 110.308 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.475 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 1.4 mm-40 -65.95 -6.93 14.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.579 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 1.1 p80 40.02 41.34 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.658 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.01 -56.69 0.08 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.487 1.117 . . . . 0.0 110.93 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -87.75 -75.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.384 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.472 ' N ' ' OE1' ' A' ' 15' ' ' GLN . . . -76.81 -8.47 57.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 75.15 38.84 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 8.9 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.505 0.193 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.594 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -100.68 121.39 41.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.508 ' N ' ' CD ' ' A' ' 4' ' ' PRO . . . -47.03 -52.58 32.86 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.402 1.063 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 3' ' ' ALA . 18.3 Cg_endo -74.96 79.8 2.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.483 1.78 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -81.38 -88.36 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.948 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.69 -6.29 40.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.49 ' CG2' ' HA ' ' A' ' 4' ' ' PRO . 19.0 m -71.79 127.11 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.526 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 102.61 32.37 4.84 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.536 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -114.62 3.42 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 109.342 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.526 ' CE ' ' HA2' ' A' ' 8' ' ' GLY . 0.1 OUTLIER -47.01 -35.96 7.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.563 1.164 . . . . 0.0 109.318 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.537 ' C ' HD21 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -127.52 51.58 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -76.91 -63.36 1.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.35 -20.6 37.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.541 1.15 . . . . 0.0 110.978 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -79.9 -66.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.807 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 2.3 tp-100 -35.04 -40.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.807 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.2 p90 52.74 143.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 111.055 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.546 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 32.77 33.78 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.604 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 46.6 tp60 -74.21 -2.47 24.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 110.372 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.7 p80 35.83 39.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.599 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -154.04 -47.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.448 1.092 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.549 ' NH2' ' CG ' ' A' ' 18' ' ' GLN . 0.9 OUTLIER -92.62 -71.57 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 0.729 . . . . 0.0 110.289 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.29 -7.95 56.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mt 56.6 46.5 20.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.248 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.429 1.08 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 16.9 t80 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.499 0.19 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.539 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 0.2 OUTLIER -97.95 167.51 10.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.962 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -50.09 154.06 2.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 6' ' ' ASP . 18.3 Cg_endo -75.05 -21.32 15.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 110.982 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 60.21 -79.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.988 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 4' ' ' PRO . 1.2 m-20 -174.81 33.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.447 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 1.1 t -104.64 -2.34 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.32 37.12 3.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.447 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -114.73 -1.42 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.229 -179.974 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.442 ' CE ' ' O ' ' A' ' 7' ' ' VAL . 1.9 mtmp? -50.44 -21.94 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.454 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -131.99 47.2 2.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.952 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.6 -69.39 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.56 -23.53 1.39 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.514 1.133 . . . . 0.0 110.998 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -76.35 -61.83 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.774 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.684 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -36.07 -51.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.734 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 0.5 OUTLIER 52.15 125.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 -179.948 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.559 ' HG2' ' CD1' ' A' ' 16' ' ' TYR . 1.9 pt20 32.82 34.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.603 1.189 . . . . 0.0 110.269 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.531 ' N ' ' O ' ' A' ' 16' ' ' TYR . 1.5 tp60 -84.67 3.66 36.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.367 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.567 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 1.4 p80 42.28 40.63 1.85 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.516 1.135 . . . . 0.0 109.605 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.451 ' N ' ' HB3' ' A' ' 23' ' ' LEU . . . -130.48 -54.64 0.1 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.375 1.047 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.451 ' CZ ' ' NE2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -106.67 -72.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 110.251 -179.942 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.545 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . -65.37 -11.63 44.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.545 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -28.13 -47.14 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 -179.961 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . 0.443 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.102 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.401 ' O ' ' O ' ' A' ' 2' ' ' ASN . 13.0 t80 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.471 0.176 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 1' ' ' PHE . 0.2 OUTLIER -51.13 -178.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.933 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.623 ' CB ' ' CZ ' ' A' ' 5' ' ' PHE . . . -120.17 162.24 34.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.461 ' O ' ' C ' ' A' ' 5' ' ' PHE . 18.4 Cg_endo -74.97 -0.44 9.96 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.791 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.623 ' CZ ' ' CB ' ' A' ' 3' ' ' ALA . 9.2 m-30 -32.57 -86.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -142.54 15.2 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 1.1 t -82.2 4.83 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.483 ' HA2' ' NZ ' ' A' ' 10' ' ' LYS . . . -120.69 51.55 0.77 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -112.39 -20.91 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 0.774 . . . . 0.0 109.23 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.483 ' NZ ' ' HA2' ' A' ' 8' ' ' GLY . 0.1 OUTLIER -42.12 -32.03 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -126.34 51.9 1.76 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -79.33 -63.31 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.969 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.9 -22.63 27.85 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.423 1.077 . . . . 0.0 111.077 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -81.4 -65.87 0.96 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.488 0.758 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.712 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 1.9 mp0 -35.62 -51.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.712 ' CD2' ' O ' ' A' ' 15' ' ' GLN . 0.6 OUTLIER 54.24 131.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.945 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.55 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.4 pt20 31.57 36.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.636 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 36.5 tp60 -77.6 1.13 20.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.636 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 2.8 p80 41.57 35.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.583 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -161.59 -42.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.517 ' HE ' ' N ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -75.89 -62.12 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 110.287 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -97.56 -4.51 37.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.473 ' CD1' ' N ' ' A' ' 224' ' ' NH2 . 2.5 pp 43.48 -166.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . 0.473 ' N ' ' CD1' ' A' ' 23' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.501 0.191 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.561 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 0.2 OUTLIER -97.13 50.92 1.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.407 1.067 . . . . 0.0 109.307 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.574 ' N ' ' HD3' ' A' ' 4' ' ' PRO . . . -148.47 56.5 2.6 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.574 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 18.3 Cg_endo -74.95 0.9 8.32 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.453 ' C ' ' O ' ' A' ' 4' ' ' PRO . 49.6 m-85 -33.82 -82.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 7' ' ' VAL . 5.6 m-20 -92.99 -51.49 5.03 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 3' ' ' ALA . 6.1 m -38.86 127.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.461 ' HA2' ' HE2' ' A' ' 10' ' ' LYS . . . 107.07 30.93 4.01 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.599 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -127.0 9.0 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 0.726 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -35.29 -36.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -148.77 52.51 0.98 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.118 . . . . 0.0 109.348 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.52 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -61.56 -69.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.085 . . . . 0.0 109.997 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.65 -19.2 4.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.441 ' C ' ' N ' ' A' ' 16' ' ' TYR . . . -86.45 -52.39 5.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.804 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 2.5 mm-40 -40.16 -28.55 0.06 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.804 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 7.1 p90 50.61 136.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 111.03 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.538 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER 30.94 36.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.372 -179.932 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.54 ' N ' ' O ' ' A' ' 16' ' ' TYR . 20.1 tm0? -66.24 -4.47 7.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.551 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 1.0 OUTLIER 38.9 39.55 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.671 -179.93 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.402 ' CA ' ' OE1' ' A' ' 18' ' ' GLN . . . -165.52 -42.64 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.563 1.164 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.52 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -88.73 -69.73 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 0.741 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.68 -6.66 56.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.57 168.42 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.6 t80 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.544 0.211 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.44 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 0.9 OUTLIER -58.09 108.88 0.65 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.113 . . . . 0.0 109.248 -179.963 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.526 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . . . -104.57 161.74 21.91 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.489 ' O ' ' C ' ' A' ' 5' ' ' PHE . 18.2 Cg_endo -74.98 2.35 6.71 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.43 1.753 . . . . 0.0 111.015 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.526 ' CD2' ' HB2' ' A' ' 3' ' ' ALA . 16.2 m-85 -30.11 -89.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -128.22 50.29 2.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.472 ' CG2' ' HA ' ' A' ' 4' ' ' PRO . 2.5 m -106.55 119.89 56.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.475 ' HA3' ' CG ' ' A' ' 21' ' ' ARG . . . 108.19 4.33 33.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.422 1.076 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.17 -6.03 5.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.771 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.478 ' C ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -57.05 -32.86 66.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -122.39 42.75 3.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.919 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.522 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 1.2 t -64.55 -62.84 1.34 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 110.077 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.89 -14.19 3.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.52 -41.71 6.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 0.806 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.764 ' O ' ' O ' ' A' ' 16' ' ' TYR . 1.6 pt20 -63.86 -48.66 75.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.764 ' O ' ' O ' ' A' ' 15' ' ' GLN . 1.0 OUTLIER 40.95 121.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.383 1.052 . . . . 0.0 111.042 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.565 ' HG2' ' CD1' ' A' ' 16' ' ' TYR . 2.4 pt20 31.64 36.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.611 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -60.0 -7.6 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.611 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.9 p80 47.28 33.71 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.516 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -143.09 -45.61 0.05 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.475 ' CG ' ' HA3' ' A' ' 8' ' ' GLY . 1.0 OUTLIER -93.58 -66.43 0.92 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 0.768 . . . . 0.0 110.28 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.17 -4.17 56.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 74.65 169.63 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.5 t80 . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.49 0.186 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.572 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -97.56 81.71 2.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.574 ' HA ' ' CZ ' ' A' ' 5' ' ' PHE . . . 164.74 -53.38 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 3' ' ' ALA . 18.2 Cg_endo -74.98 80.24 2.47 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.58 1.831 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.574 ' CZ ' ' HA ' ' A' ' 3' ' ' ALA . 6.7 m-85 -92.17 -138.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.76 -13.44 62.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.9 t -75.45 133.92 30.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.512 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 98.6 34.5 5.24 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.105 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.652 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -122.94 12.36 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.537 ' CG ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -47.37 -22.14 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.554 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -155.18 50.96 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 179.968 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.497 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.3 t -69.81 -73.89 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 0.0 109.975 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.92 -23.23 1.44 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.425 1.078 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.467 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -74.83 -66.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 0.797 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.827 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -33.88 -40.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.296 179.957 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.827 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.4 p90 52.55 146.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.542 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 33.79 32.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.657 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 41.1 tp60 -79.98 0.49 31.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.523 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER 32.39 40.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.631 179.965 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . -154.7 -47.27 0.02 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.53 ' NH2' ' CG ' ' A' ' 18' ' ' GLN . 1.1 mpp_? -88.36 -69.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.58 0.812 . . . . 0.0 110.294 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . -83.08 -4.74 58.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.5 OUTLIER 37.28 59.78 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 3' ' ' ALA . 7.3 t80 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.523 0.201 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.472 ' N ' ' ND2' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -40.53 97.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.465 ' N ' ' HD3' ' A' ' 4' ' ' PRO . . . -176.01 61.59 0.21 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.465 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 18.2 Cg_endo -74.98 1.36 7.82 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.563 1.823 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -67.64 -135.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.406 1.066 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -54.97 -18.81 5.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 3.4 t -80.0 2.76 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.73 45.43 1.3 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.582 ' O ' ' N ' ' A' ' 11' ' ' LEU . 1.0 OUTLIER -126.03 -72.74 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.497 0.763 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.543 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 1.7 mtmp? 38.85 -91.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -92.72 43.53 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 9' ' ' ILE . 2.1 t -65.81 -56.09 13.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 110.039 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.9 -13.48 47.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.04 -52.15 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.755 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 5.7 mm-40 -47.4 -34.22 6.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.357 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.755 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.8 p90 51.05 142.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.524 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 pt20 32.38 34.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.617 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 9.7 tt0 -73.46 3.45 6.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.7 p80 48.68 35.84 6.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 109.575 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -121.25 -55.22 0.23 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.628 ' HE ' ' N ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -113.6 -46.33 3.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 0.75 . . . . 0.0 110.304 -179.949 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.628 ' N ' ' HE ' ' A' ' 21' ' ' ARG . . . -78.85 -22.3 46.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 72.58 -61.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.0 t80 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.484 0.183 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.504 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 0.2 OUTLIER -43.22 131.86 4.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 -179.995 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.553 ' HB3' ' CD2' ' A' ' 5' ' ' PHE . . . -173.27 -179.02 0.43 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.085 . . . . 0.0 109.337 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' A' ' 3' ' ' ALA . 18.2 Cg_endo -74.93 2.51 6.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.553 ' CD2' ' HB3' ' A' ' 3' ' ' ALA . 1.1 m-30 -67.45 -137.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 111.047 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -70.28 -10.73 59.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.43 ' HB ' ' O ' ' A' ' 3' ' ' ALA . 2.3 t -70.49 132.74 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 10' ' ' LYS . . . 88.14 -48.65 3.66 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.649 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.0 OUTLIER 36.67 31.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 109.254 -179.952 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -59.29 -55.54 33.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.949 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.464 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -102.03 60.93 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.48 ' CB ' HG12 ' A' ' 9' ' ' ILE . 1.2 t -106.53 -58.1 1.97 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.608 1.192 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.08 -15.39 62.84 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -88.03 -63.45 1.3 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 0.759 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.777 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -34.86 -46.13 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.777 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 1.3 p90 53.38 144.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.627 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 0.1 OUTLIER 35.13 30.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.391 1.057 . . . . 0.0 110.251 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.633 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 45.0 tp60 -78.53 0.78 24.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 110.378 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.3 p80 34.78 38.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.566 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . -148.17 -48.12 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.492 ' HE ' ' N ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -93.87 -70.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.68 -6.3 58.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.9 mp 48.6 63.71 1.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.429 1.081 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 3' ' ' ALA . 11.3 t80 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.551 0.215 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.533 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -44.43 96.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.082 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.557 ' N ' ' HD3' ' A' ' 4' ' ' PRO . . . -168.05 57.28 0.36 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.557 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 18.3 Cg_endo -74.97 1.99 7.12 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 111.031 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' A' ' 4' ' ' PRO . 22.9 m-85 -33.02 -81.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.131 . . . . 0.0 111.08 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -132.87 43.09 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.404 1.065 . . . . 0.0 109.355 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 3' ' ' ALA . 20.9 m -97.2 120.74 46.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.444 ' O ' ' NH1' ' A' ' 21' ' ' ARG . . . 106.91 4.0 36.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.434 HG12 ' CG ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -54.82 -28.17 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.783 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -12.29 44.71 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.14 48.12 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -85.42 -67.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.06 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.92 -21.66 1.72 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.65 -60.96 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.759 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 38.0 mt-30 -43.87 -32.98 1.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.223 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.759 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 3.5 p90 50.98 145.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 111.047 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.541 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 30.69 34.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.351 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.584 ' N ' ' O ' ' A' ' 16' ' ' TYR . 10.2 tm0? -75.03 1.04 13.98 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.404 1.065 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.589 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.9 OUTLIER 37.19 42.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.617 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.98 -53.36 0.1 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.389 1.055 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.65 HH22 ' NE2' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -103.92 -74.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.403 0.708 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.91 -13.08 61.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.223 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 76.36 50.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 t -77.33 125.65 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.517 ' O ' HD22 ' A' ' 11' ' ' LEU . . . 108.82 8.75 27.6 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.427 1.079 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -77.93 -12.59 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 109.219 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.598 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -54.32 -18.85 4.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.862 HD22 ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -141.45 53.21 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.474 ' HA ' ' CB ' ' A' ' 21' ' ' ARG . 1.2 t -79.08 -69.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.068 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.17 -21.61 2.78 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -77.48 -61.34 2.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.566 0.804 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.724 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 0.6 OUTLIER -35.38 -44.2 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 110.274 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.724 ' CD2' ' O ' ' A' ' 15' ' ' GLN . 1.6 p90 49.41 122.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.57 ' HG2' ' CD1' ' A' ' 16' ' ' TYR . 3.9 pt20 32.63 34.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.534 ' N ' ' O ' ' A' ' 16' ' ' TYR . 1.1 tp60 -83.31 2.97 33.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 0.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.563 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 3.9 p-80 41.18 39.59 0.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.61 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.33 -53.58 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.606 HH21 ' HG2' ' A' ' 15' ' ' GLN . 0.2 OUTLIER -92.96 -72.0 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 110.359 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.33 -5.22 54.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.551 ' O ' HD12 ' A' ' 9' ' ' ILE . 15.7 t70 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.0 m -43.97 124.96 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.483 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 104.06 27.54 6.2 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.551 HD12 ' O ' ' A' ' 6' ' ' ASP . 0.1 OUTLIER -104.14 -6.72 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 0.727 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 1.019 ' C ' HD13 ' A' ' 11' ' ' LEU . 4.4 mtmt -39.44 -37.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.368 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.019 HD13 ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -122.69 48.55 1.76 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' ILE . 1.4 t -77.38 -63.96 1.25 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.37 -18.32 9.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.66 -36.22 14.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 0.775 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.453 ' OE1' ' NE ' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -76.06 47.93 0.47 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.542 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -55.87 133.37 51.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 111.067 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 16' ' ' TYR . 0.6 OUTLIER 42.44 21.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 16' ' ' TYR . 21.2 tp60 -76.32 2.79 12.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 110.214 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.567 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 3.8 p-80 40.79 39.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.419 ' HA3' ' NH2' ' A' ' 21' ' ' ARG . . . -130.77 -54.39 0.09 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.528 1.143 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.525 ' N ' ' NE ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -101.15 -74.12 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 0.734 . . . . 0.0 110.342 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.599 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -70.35 -18.39 63.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 22' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 7' ' ' VAL . 36.6 t -84.46 7.44 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.454 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . -109.04 22.01 26.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.518 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -93.65 2.51 9.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.576 0.81 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.529 ' HB2' HD13 ' A' ' 11' ' ' LEU . 2.6 mtmp? -49.24 -23.98 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.818 HD22 ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -136.36 57.14 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.427 ' HA ' ' CB ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -90.4 -67.95 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.035 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.88 -22.06 8.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.402 1.064 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -80.65 -66.67 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.741 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.8 OUTLIER -37.25 -48.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.741 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 1.0 OUTLIER 53.95 135.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.163 . . . . 0.0 111.007 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.56 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 pt20 31.76 37.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.315 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.545 ' CB ' ' HB3' ' A' ' 15' ' ' GLN . 4.7 tm0? -85.79 3.08 43.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.438 1.087 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.446 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 8.3 p-80 39.62 39.56 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.574 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.68 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -141.85 -51.31 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.68 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -84.86 -72.79 0.46 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 0.763 . . . . 0.0 110.26 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.34 -5.92 59.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 6.2 t -82.06 3.51 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.99 38.21 3.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.48 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -117.66 0.34 8.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 0.748 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.805 ' C ' HD22 ' A' ' 11' ' ' LEU . 1.4 mtmp? -46.77 -29.02 1.72 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.805 HD22 ' C ' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -128.85 48.94 2.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.397 1.061 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.421 ' HA ' ' CB ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -77.91 -66.05 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 110.098 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.55 -20.8 4.12 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.451 1.094 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' TYR . . . -85.49 -41.45 15.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 0.805 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.457 ' HG3' ' CG ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -68.7 56.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.584 ' CD2' ' HG2' ' A' ' 17' ' ' GLN . 26.0 p90 -57.79 128.42 36.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.584 ' HG2' ' CD2' ' A' ' 16' ' ' TYR . 2.7 pt20 43.62 22.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.336 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.467 ' N ' ' C ' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -72.49 -0.26 12.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.243 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.579 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 4.7 p-80 38.38 44.17 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.578 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.677 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -136.87 -57.76 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.677 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -81.29 -76.66 0.24 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 0.766 . . . . 0.0 110.339 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . -72.26 -9.73 58.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.709 ' O ' HD12 ' A' ' 23' ' ' LEU . 1.4 pp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.527 ' O ' HD12 ' A' ' 9' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 m -59.76 127.39 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.488 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 108.57 24.24 6.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.527 HD12 ' O ' ' A' ' 6' ' ' ASP . 0.2 OUTLIER -106.88 0.67 10.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.463 0.743 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.541 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -41.37 -28.62 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.827 HD22 ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -142.78 56.01 1.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.498 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.2 t -77.23 -68.33 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.46 -18.19 9.8 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -82.67 -65.13 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.82 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 2.2 tp-100 -36.43 -37.89 0.14 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.406 1.066 . . . . 0.0 110.264 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.82 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.6 p90 52.72 144.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.543 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER 32.59 33.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.586 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 40.0 tp60 -73.62 -1.58 19.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 18' ' ' GLN . 8.6 p-80 36.72 38.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.59 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -156.66 -45.59 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.445 1.09 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.555 ' HE ' ' N ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -86.51 -70.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 0.718 . . . . 0.0 110.341 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.47 -6.68 59.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 2.9 t -78.04 -0.37 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.504 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . -100.3 48.24 1.21 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.566 1.166 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.6 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -135.04 9.48 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.444 0.732 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.839 ' CG ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -47.14 -24.26 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 109.233 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.839 HD13 ' CG ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -146.07 54.06 1.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.586 1.179 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.472 ' HB2' ' CG1' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -73.35 -69.39 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.95 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.76 -22.5 2.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.06 -42.16 21.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 0.762 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.481 ' HG3' ' CG ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -77.02 45.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.491 ' O ' ' N ' ' A' ' 18' ' ' GLN . 1.0 OUTLIER -51.52 133.23 30.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 16' ' ' TYR . 0.7 OUTLIER 41.39 23.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -77.27 3.59 12.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.579 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 3.9 p-80 39.82 41.17 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.625 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.932 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -132.52 -56.97 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.423 1.077 . . . . 0.0 111.029 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.932 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -90.54 -76.02 0.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 0.753 . . . . 0.0 110.333 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.16 -8.26 55.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.377 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.6 m -45.71 129.3 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.503 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 101.66 35.22 4.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.559 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -127.28 5.85 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.868 ' CG ' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -44.77 -24.68 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.868 HD13 ' CG ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -148.15 56.38 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.502 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 0.9 OUTLIER -74.22 -70.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.057 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.52 -19.11 5.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.569 1.168 . . . . 0.0 111.026 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -80.84 -65.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.82 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 6.1 tp-100 -36.23 -36.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.82 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.7 p90 52.48 144.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.042 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.536 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 33.06 33.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.579 1.175 . . . . 0.0 110.336 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.58 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 39.1 tp60 -73.95 -1.96 21.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 110.259 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.466 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 6.1 p-80 34.99 39.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.574 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.681 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -156.74 -46.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.497 1.123 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.681 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -86.56 -69.68 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.6 0.824 . . . . 0.0 110.376 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.33 -5.11 59.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.3 mt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.2 m -42.51 122.79 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 107.18 14.88 17.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.457 1.098 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.509 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -81.85 1.72 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.563 0.801 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 1.018 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -64.2 -35.75 81.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.018 HD13 ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -126.18 45.25 2.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -65.5 -64.27 0.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 109.996 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.14 -17.33 10.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -88.29 -58.56 2.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.337 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.752 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 34.8 mt-30 -38.81 -40.43 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.752 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 1.7 p90 52.72 140.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.57 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 0.8 OUTLIER 28.93 37.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.529 1.143 . . . . 0.0 110.348 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.598 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 16.3 tp60 -71.2 -0.82 10.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.555 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 3.8 p-80 39.85 39.23 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.629 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.739 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -144.85 -49.7 0.03 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.739 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -93.48 -72.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 0.0 110.277 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . -76.32 -6.01 49.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 21' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 109.361 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.51 ' O ' ' CG1' ' A' ' 7' ' ' VAL . 1.2 t -102.09 2.26 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.454 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . -105.52 24.53 27.12 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.511 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -99.04 3.5 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.42 0.717 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.986 ' C ' HD13 ' A' ' 11' ' ' LEU . 2.2 mtmp? -48.41 -32.45 7.66 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.986 HD13 ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -125.1 57.71 1.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.477 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.4 t -96.65 -64.07 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.024 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.75 -19.92 37.76 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -82.61 -66.28 0.91 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 0.772 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.812 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -35.22 -42.97 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.812 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 1.9 p90 52.94 143.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.553 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 pt20 33.88 33.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.078 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.954 ' CG ' HH21 ' A' ' 21' ' ' ARG . 48.2 tp60 -79.26 0.2 29.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.492 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 4.9 p-80 33.47 40.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.627 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . -150.41 -48.91 0.02 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.954 HH21 ' CG ' ' A' ' 18' ' ' GLN . 1.0 OUTLIER -84.24 -71.6 0.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 0.75 . . . . 0.0 110.22 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . -84.16 -5.12 59.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.366 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.798 ' O ' HD12 ' A' ' 9' ' ' ILE . 72.1 m-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' ASP . 5.9 m -39.47 126.02 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.504 ' O ' ' CG ' ' A' ' 21' ' ' ARG . . . 105.05 28.21 5.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.798 HD12 ' O ' ' A' ' 6' ' ' ASP . 0.3 OUTLIER -111.55 4.01 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.762 ' C ' HD13 ' A' ' 11' ' ' LEU . 5.2 mtmt -36.77 -36.35 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.857 HD22 ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -144.16 48.6 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.483 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.4 t -61.33 -69.15 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.66 -20.48 2.76 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.09 -49.6 9.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.781 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.756 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 6.9 mm-40 -48.43 -35.47 12.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.756 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.5 p90 51.24 140.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.535 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 32.31 34.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.319 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.566 HE22 ' NH2' ' A' ' 21' ' ' ARG . 19.6 tm0? -69.63 -2.97 13.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 4.0 p-80 39.63 39.14 0.48 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.574 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.758 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -165.52 -42.63 0.02 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.491 1.119 . . . . 0.0 111.068 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.758 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -89.22 -69.0 0.74 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 0.781 . . . . 0.0 110.293 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.05 -6.35 56.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.409 1.068 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 1.2 t -88.38 1.19 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -105.81 34.14 5.98 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.488 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -109.27 2.1 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.843 ' C ' HD22 ' A' ' 11' ' ' LEU . 1.7 mtmp? -51.22 -23.69 3.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.843 HD22 ' C ' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -130.39 50.76 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.26 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.95 -67.89 0.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 110.045 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.87 -21.8 2.54 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -79.95 -66.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 0.737 . . . . 0.0 109.357 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.816 ' HG2' HH21 ' A' ' 21' ' ' ARG . 0.8 OUTLIER -37.57 -50.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.703 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 0.7 OUTLIER 53.54 132.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 0.0 110.962 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.54 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 pt20 30.98 37.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.257 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.567 ' CD ' HH21 ' A' ' 21' ' ' ARG . 15.3 tm0? -86.5 3.56 43.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.482 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 6.1 p-80 40.38 38.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.619 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -139.67 -50.85 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.816 HH21 ' HG2' ' A' ' 15' ' ' GLN . 1.0 OUTLIER -91.9 -70.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 110.295 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.677 ' C ' HD12 ' A' ' 23' ' ' LEU . . . -84.46 -5.57 59.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.677 HD12 ' C ' ' A' ' 22' ' ' ALA . 2.0 mp . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 7' ' ' VAL . 1.0 OUTLIER -80.77 -0.17 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -107.03 44.4 1.49 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.713 HG22 ' N ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -121.45 -68.1 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.713 ' N ' HG22 ' A' ' 9' ' ' ILE . 1.5 mtmp? 35.09 -94.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.64 HD22 ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -86.67 48.57 1.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.599 ' HB3' HG23 ' A' ' 9' ' ' ILE . 6.9 t -81.89 -52.38 7.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.29 -19.28 63.99 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 16' ' ' TYR . . . -87.75 -39.73 14.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.494 ' CA ' ' OE1' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -69.03 57.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.314 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.589 ' CD2' ' HG2' ' A' ' 17' ' ' GLN . 26.3 p90 -58.8 129.11 40.54 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.589 ' HG2' ' CD2' ' A' ' 16' ' ' TYR . 2.6 pt20 43.17 22.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.477 ' N ' ' C ' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -72.22 -0.12 11.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.332 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.559 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 5.2 p-80 41.29 41.74 1.55 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 109.591 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.795 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -134.91 -56.25 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.795 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -88.71 -75.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 110.282 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.18 -9.78 58.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.735 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.1 m-20 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 m -39.34 124.61 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.48 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 106.83 23.18 7.24 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.735 HD12 ' O ' ' A' ' 6' ' ' ASP . 0.3 OUTLIER -102.91 -2.42 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.529 ' C ' HD13 ' A' ' 11' ' ' LEU . 3.7 mtmt -45.9 -24.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.582 1.176 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.886 HD22 ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -143.83 48.77 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.241 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.46 ' OG ' ' CZ ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -62.42 -73.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.007 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.94 -22.12 1.11 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.487 1.117 . . . . 0.0 111.083 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.33 -59.81 2.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 0.753 . . . . 0.0 109.305 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 7.6 mm-40 -41.65 -33.08 0.43 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.766 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 3.6 p90 51.06 143.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.509 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.5 pt20 33.29 33.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -72.51 2.7 5.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 110.243 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.469 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 7.4 p-80 43.96 37.42 1.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.585 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.69 -51.87 0.08 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.573 1.171 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 1.047 HH21 ' HB2' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -106.1 -56.1 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 0.728 . . . . 0.0 110.373 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.047 ' HB2' HH21 ' A' ' 21' ' ' ARG . . . -84.58 -6.86 59.4 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.257 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.431 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -101.58 0.01 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.454 ' O ' ' NE2' ' A' ' 15' ' ' GLN . . . -109.21 11.74 33.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 110.958 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.455 HG22 ' NZ ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -59.3 -28.94 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.761 . . . . 0.0 109.336 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.954 ' O ' HD13 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -40.51 -33.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.36 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.954 HD13 ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -131.27 49.46 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -72.2 -64.81 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.97 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.76 -18.13 16.55 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -89.24 -60.0 2.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.754 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 35.1 mt-30 -38.41 -41.9 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.754 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 1.5 p90 53.37 139.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.401 1.063 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.582 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 0.8 OUTLIER 28.82 38.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.616 ' CG ' ' HB3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -69.68 -1.91 10.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.342 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 3.8 p-80 40.16 38.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.555 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.697 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -140.16 -50.54 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.697 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -92.74 -70.32 0.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 0.754 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.13 -5.09 58.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.3 m -91.95 122.61 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.444 ' O ' ' NE2' ' A' ' 15' ' ' GLN . . . 110.66 3.88 28.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.454 HD13 ' HB2' ' A' ' 12' ' ' SER . 0.2 OUTLIER -71.02 -16.52 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 0.761 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 1.027 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.68 -39.33 36.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.027 HD13 ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -122.97 47.03 2.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.454 ' HB2' HD13 ' A' ' 9' ' ' ILE . 1.1 t -59.86 -62.26 2.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.012 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.84 -16.25 38.18 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 11' ' ' LEU . . . -91.22 -63.03 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.626 0.839 . . . . 0.0 109.254 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.702 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -32.48 -56.25 0.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 110.265 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.741 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER 54.49 127.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.945 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.581 ' HG2' ' CD1' ' A' ' 16' ' ' TYR . 1.5 pt20 31.32 38.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.35 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 16' ' ' TYR . 6.6 tm0? -74.61 3.97 6.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.528 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 8.1 p-80 44.57 42.8 5.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.545 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -125.28 -58.48 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -102.63 -74.4 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.434 0.726 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' A' ' 23' ' ' LEU . . . -64.82 -12.64 50.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 14.8 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -3.27 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.813 ' O ' HD22 ' A' ' 11' ' ' LEU . . . -106.63 1.88 36.56 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.493 1.121 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.4 -23.59 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.593 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -45.16 -29.52 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.835 HD22 ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -140.83 50.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.578 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 1.5 t -65.75 -67.11 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.097 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.87 -13.6 3.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.441 1.088 . . . . 0.0 111.035 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.7 -43.7 7.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 0.746 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.692 ' O ' ' O ' ' A' ' 16' ' ' TYR . 1.2 pt20 -59.47 -49.12 79.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.239 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.692 ' O ' ' O ' ' A' ' 15' ' ' GLN . 1.1 p90 47.98 130.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.534 ' HG2' ' CD1' ' A' ' 16' ' ' TYR . 1.8 pt20 32.74 35.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' A' ' 16' ' ' TYR . 0.9 OUTLIER -77.2 5.68 7.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.279 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 4.6 p-80 50.94 37.48 17.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.565 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.433 ' HA3' ' NH2' ' A' ' 21' ' ' ARG . . . -133.98 -52.23 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.517 ' HE ' ' N ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -110.17 -69.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 110.314 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -64.74 -14.68 59.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.082 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.621 HD12 ' C ' ' A' ' 23' ' ' LEU . 2.5 pp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 6' ' ' ASP . 1.1 p-10 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.577 HG12 ' O ' ' A' ' 7' ' ' VAL . 55.1 t -81.65 5.31 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.483 ' O ' ' CG ' ' A' ' 21' ' ' ARG . . . -108.29 43.45 1.7 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.518 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -124.96 1.6 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.764 . . . . 0.0 109.274 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.871 ' C ' HD22 ' A' ' 11' ' ' LEU . 2.7 mtmt -45.18 -29.82 1.03 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.871 HD22 ' C ' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -138.03 45.29 2.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.49 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.2 t -61.51 -69.08 0.26 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.44 -20.5 2.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' A' ' 11' ' ' LEU . . . -83.96 -55.82 4.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.757 . . . . 0.0 109.36 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.803 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 5.0 mm-40 -38.14 -30.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.803 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 5.6 p90 50.92 138.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.552 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 29.62 36.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.578 ' N ' ' O ' ' A' ' 16' ' ' TYR . 28.4 tp60 -68.92 -2.11 8.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.456 1.097 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.564 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 3.0 p-80 35.91 39.47 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 109.587 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.742 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -164.57 -41.48 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.742 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -88.16 -69.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.786 . . . . 0.0 110.35 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.79 -5.74 58.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.238 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.9 mt . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 -179.921 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.9 t -81.3 3.2 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.436 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . -106.06 23.36 29.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.472 1.107 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.496 HG13 ' CG ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -97.21 1.19 10.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.544 0.79 . . . . 0.0 109.24 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.592 ' HB2' HD13 ' A' ' 11' ' ' LEU . 2.4 mtmp? -45.9 -30.13 1.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.682 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -133.6 61.74 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.446 ' HB2' ' CB ' ' A' ' 21' ' ' ARG . 1.2 t -102.71 -66.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.53 -20.02 43.96 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.599 1.187 . . . . 0.0 110.998 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -83.45 -67.47 0.79 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.519 0.776 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.824 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -36.54 -41.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.824 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.1 p90 52.88 145.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.55 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 34.73 32.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.404 1.065 . . . . 0.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.815 ' CD ' HH21 ' A' ' 21' ' ' ARG . 8.2 tm0? -77.89 1.93 18.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 110.236 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.473 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 7.1 p-80 36.01 41.19 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.432 1.083 . . . . 0.0 109.612 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.402 ' HA3' ' NE2' ' A' ' 18' ' ' GLN . . . -135.83 -54.05 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.815 HH21 ' CD ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -101.13 -73.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 110.217 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.79 -12.71 61.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.59 1.181 . . . . 0.0 109.353 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.8 m -91.52 121.82 42.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.432 ' O ' ' NE2' ' A' ' 15' ' ' GLN . . . 107.03 6.35 34.4 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.582 HD13 ' HB2' ' A' ' 12' ' ' SER . 0.0 OUTLIER -68.89 -17.88 22.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.517 0.774 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 1.018 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -42.73 -36.3 1.4 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.018 HD13 ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -122.18 43.77 2.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.267 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.582 ' HB2' HD13 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -61.17 -63.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.981 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.96 -13.5 4.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.44 1.087 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.34 -28.01 12.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.242 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.56 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 1.0 OUTLIER -85.24 30.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.532 ' CD2' ' O ' ' A' ' 16' ' ' TYR . 45.4 p90 -54.29 120.88 7.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 16' ' ' TYR . 0.7 OUTLIER 40.78 25.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 110.308 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.523 ' HB3' HH21 ' A' ' 21' ' ' ARG . 1.4 mm-40 -65.95 -6.93 14.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.579 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 3.9 p-80 40.02 41.34 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.658 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.01 -56.69 0.08 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.487 1.117 . . . . 0.0 110.93 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.523 HH21 ' HB3' ' A' ' 18' ' ' GLN . 0.4 OUTLIER -87.75 -75.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.384 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.523 ' HB2' ' OE1' ' A' ' 15' ' ' GLN . . . -76.81 -8.47 57.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 19.0 m -71.79 127.11 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 109.33 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.528 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 102.61 32.37 4.84 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.536 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -114.62 3.42 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 109.342 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.962 ' HG2' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -47.01 -35.96 7.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.563 1.164 . . . . 0.0 109.318 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.962 HD13 ' HG2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -127.52 51.58 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -76.91 -63.36 1.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.35 -20.6 37.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.541 1.15 . . . . 0.0 110.978 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -79.9 -66.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.807 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 2.3 tp-100 -35.04 -40.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.807 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.2 p90 52.74 143.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 111.055 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.546 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 32.77 33.78 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 1.003 ' CG ' HH21 ' A' ' 21' ' ' ARG . 46.6 tp60 -74.21 -2.47 24.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 110.372 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 18' ' ' GLN . 7.4 p-80 35.83 39.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.599 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -154.04 -47.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.448 1.092 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 1.003 HH21 ' CG ' ' A' ' 18' ' ' GLN . 0.9 OUTLIER -92.62 -71.57 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 0.729 . . . . 0.0 110.289 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.29 -7.95 56.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.248 179.973 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.447 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 1.1 t -104.64 -2.34 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.32 37.12 3.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.447 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -114.73 -1.42 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.229 -179.974 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.442 ' CE ' ' O ' ' A' ' 7' ' ' VAL . 1.9 mtmp? -50.44 -21.94 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.865 ' CD1' HE22 ' A' ' 15' ' ' GLN . 0.5 OUTLIER -131.99 47.2 2.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.952 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.6 -69.39 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.56 -23.53 1.39 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.514 1.133 . . . . 0.0 110.998 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -76.35 -61.83 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.774 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.865 HE22 ' CD1' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -36.07 -51.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.734 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 0.5 OUTLIER 52.15 125.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 -179.948 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.559 ' HG2' ' CD1' ' A' ' 16' ' ' TYR . 1.9 pt20 32.82 34.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.603 1.189 . . . . 0.0 110.269 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.531 ' N ' ' O ' ' A' ' 16' ' ' TYR . 1.5 tp60 -84.67 3.66 36.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.367 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.567 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 4.4 p-80 42.28 40.63 1.85 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.516 1.135 . . . . 0.0 109.605 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.465 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -130.48 -54.64 0.1 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.375 1.047 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.465 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -106.67 -72.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 110.251 -179.942 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.545 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . -65.37 -11.63 44.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.677 HD12 ' C ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.9 t70 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 7' ' ' VAL . 1.1 t -82.2 4.83 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.484 ' HA2' ' NZ ' ' A' ' 10' ' ' LYS . . . -120.69 51.55 0.77 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.633 HD13 ' CB ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -112.39 -20.91 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 0.774 . . . . 0.0 109.23 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.862 ' O ' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -42.12 -32.03 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.862 HD13 ' O ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -126.34 51.9 1.76 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.633 ' CB ' HD13 ' A' ' 9' ' ' ILE . 1.4 t -79.33 -63.31 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.969 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.9 -22.63 27.85 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.423 1.077 . . . . 0.0 111.077 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -81.4 -65.87 0.96 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.488 0.758 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.712 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 1.9 mp0 -35.62 -51.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.712 ' CD2' ' O ' ' A' ' 15' ' ' GLN . 0.6 OUTLIER 54.24 131.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.945 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.55 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.4 pt20 31.57 36.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.773 ' HG3' HH21 ' A' ' 21' ' ' ARG . 36.5 tp60 -77.6 1.13 20.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.429 ' ND1' ' O ' ' A' ' 18' ' ' GLN . 11.1 p-80 41.57 35.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.583 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -161.59 -42.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.773 HH21 ' HG3' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -75.89 -62.12 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 110.287 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -97.56 -4.51 37.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.613 HD12 ' C ' ' A' ' 23' ' ' LEU . 2.5 pp . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 7' ' ' VAL . 5.6 m-20 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 6' ' ' ASP . 6.1 m -38.86 127.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.461 ' HA2' ' HE2' ' A' ' 10' ' ' LYS . . . 107.07 30.93 4.01 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.599 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -127.0 9.0 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 0.726 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.535 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -35.29 -36.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.839 HD22 ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -148.77 52.51 0.98 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.118 . . . . 0.0 109.348 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.518 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -61.56 -69.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.085 . . . . 0.0 109.997 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.65 -19.2 4.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.606 ' HB3' ' HB2' ' A' ' 11' ' ' LEU . . . -86.45 -52.39 5.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.804 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 2.5 mm-40 -40.16 -28.55 0.06 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.804 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 7.1 p90 50.61 136.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 111.03 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.538 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 pt20 30.94 36.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.372 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.54 ' N ' ' O ' ' A' ' 16' ' ' TYR . 20.1 tm0? -66.24 -4.47 7.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.551 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 3.9 p-80 38.9 39.55 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.671 -179.93 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.609 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -165.52 -42.64 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.563 1.164 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.609 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -88.73 -69.73 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 0.741 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.68 -6.66 56.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.5 m -106.55 119.89 56.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.475 ' HA3' ' CG ' ' A' ' 21' ' ' ARG . . . 108.19 4.33 33.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.422 1.076 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.17 -6.03 5.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.771 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 1.003 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -57.05 -32.86 66.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.003 HD13 ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -122.39 42.75 3.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.919 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.522 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 1.2 t -64.55 -62.84 1.34 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 110.077 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.89 -14.19 3.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.52 -41.71 6.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 0.806 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.764 ' O ' ' O ' ' A' ' 16' ' ' TYR . 1.6 pt20 -63.86 -48.66 75.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.764 ' O ' ' O ' ' A' ' 15' ' ' GLN . 1.0 OUTLIER 40.95 121.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.383 1.052 . . . . 0.0 111.042 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.564 ' HG2' ' CD1' ' A' ' 16' ' ' TYR . 2.4 pt20 31.64 36.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.521 ' N ' ' O ' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -60.0 -7.6 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.477 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 6.1 p-80 47.28 33.71 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.516 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -143.09 -45.61 0.05 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.475 ' CG ' ' HA3' ' A' ' 8' ' ' GLY . 1.0 OUTLIER -93.58 -66.43 0.92 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 0.768 . . . . 0.0 110.28 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.17 -4.17 56.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.9 t -75.45 133.92 30.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.511 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 98.6 34.5 5.24 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.105 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.652 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -122.94 12.36 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.781 ' CG ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -47.37 -22.14 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.781 HD13 ' CG ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -155.18 50.96 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 179.968 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.495 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.3 t -69.81 -73.89 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 0.0 109.975 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.92 -23.23 1.44 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.425 1.078 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.467 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -74.83 -66.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 0.797 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.827 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -33.88 -40.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.296 179.957 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.827 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.4 p90 52.55 146.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.542 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 33.79 32.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.976 ' CG ' HH21 ' A' ' 21' ' ' ARG . 41.1 tp60 -79.98 0.49 31.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.523 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 3.7 p-80 32.39 40.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.631 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . -154.7 -47.27 0.02 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.976 HH21 ' CG ' ' A' ' 18' ' ' GLN . 1.1 mpp_? -88.36 -69.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.58 0.812 . . . . 0.0 110.294 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . -83.08 -4.74 58.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 3.4 t -80.0 2.76 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.73 45.43 1.3 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.755 HG22 ' N ' ' A' ' 10' ' ' LYS . 1.0 OUTLIER -126.03 -72.74 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.497 0.763 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.755 ' N ' HG22 ' A' ' 9' ' ' ILE . 1.7 mtmp? 38.85 -91.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.793 HD23 ' CG ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -92.72 43.53 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.581 ' HB3' HG23 ' A' ' 9' ' ' ILE . 2.1 t -65.81 -56.09 13.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 110.039 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.9 -13.48 47.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.04 -52.15 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.793 ' CG ' HD23 ' A' ' 11' ' ' LEU . 5.7 mm-40 -47.4 -34.22 6.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.357 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.755 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.8 p90 51.05 142.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.524 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 pt20 32.38 34.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 16' ' ' TYR . 9.7 tt0 -73.46 3.45 6.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.535 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 5.1 p-80 48.68 35.84 6.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 109.575 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -121.25 -55.22 0.23 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 1.058 HH21 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -113.6 -46.33 3.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 0.75 . . . . 0.0 110.304 -179.949 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.058 ' HB2' HH21 ' A' ' 21' ' ' ARG . . . -78.85 -22.3 46.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.41 HG23 ' H ' ' A' ' 7' ' ' VAL . 2.3 t -70.49 132.74 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 10' ' ' LYS . . . 88.14 -48.65 3.66 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.835 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER 36.67 31.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 109.254 -179.952 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.792 ' HB2' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -59.29 -55.54 33.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.949 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.792 HD13 ' HB2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -102.03 60.93 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.48 ' CB ' HG12 ' A' ' 9' ' ' ILE . 1.2 t -106.53 -58.1 1.97 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.608 1.192 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.08 -15.39 62.84 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -88.03 -63.45 1.3 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 0.759 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.777 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -34.86 -46.13 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.777 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 1.3 p90 53.38 144.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.626 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 2.8 pt20 35.13 30.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.391 1.057 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.636 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 45.0 tp60 -78.53 0.78 24.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 110.378 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.462 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 6.0 p-80 34.78 38.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.566 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.53 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -148.17 -48.12 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.53 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -93.87 -70.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.68 -6.3 58.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.9 mp . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.984 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.9 m -97.2 120.74 46.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.444 ' O ' ' NH1' ' A' ' 21' ' ' ARG . . . 106.91 4.0 36.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.435 HG12 ' CG ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -54.82 -28.17 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.783 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.78 ' HG2' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -64.67 -12.29 44.71 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.78 HD23 ' HG2' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -146.14 48.12 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -85.42 -67.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.06 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.92 -21.66 1.72 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.65 -60.96 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.763 ' HG3' HD12 ' A' ' 11' ' ' LEU . 61.8 mt-30 -43.87 -32.98 1.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.223 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.759 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 3.5 p90 50.98 145.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 111.047 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.541 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 30.69 34.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.351 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.605 ' HB3' HH21 ' A' ' 21' ' ' ARG . 10.2 tm0? -75.03 1.04 13.98 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.404 1.065 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.589 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 3.7 p-80 37.19 42.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.617 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.98 -53.36 0.1 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.389 1.055 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.605 HH21 ' HB3' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -103.92 -74.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.403 0.708 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.91 -13.08 61.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.223 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 26.5 t80 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.539 0.209 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.482 ' N ' ' ND2' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -40.83 137.83 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.593 ' HB1' HG21 ' A' ' 7' ' ' VAL . . . 57.77 60.94 6.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.487 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 18.3 Cg_endo -74.98 2.53 6.52 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.502 1.79 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -64.91 -135.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.441 1.088 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -73.95 -3.63 30.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.593 HG21 ' HB1' ' A' ' 3' ' ' ALA . 1.6 t -77.33 125.65 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.517 ' O ' HD22 ' A' ' 11' ' ' LEU . . . 108.82 8.75 27.6 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.427 1.079 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -77.93 -12.59 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 109.219 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.598 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -54.32 -18.85 4.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.862 HD22 ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -141.45 53.21 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.474 ' HA ' ' CB ' ' A' ' 21' ' ' ARG . 1.2 t -79.08 -69.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.068 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.17 -21.61 2.78 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -77.48 -61.34 2.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.566 0.804 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.724 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 0.6 OUTLIER -35.38 -44.2 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 110.274 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.724 ' CD2' ' O ' ' A' ' 15' ' ' GLN . 1.6 p90 49.41 122.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.57 ' HG2' ' CD1' ' A' ' 16' ' ' TYR . 3.9 pt20 32.63 34.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.534 ' N ' ' O ' ' A' ' 16' ' ' TYR . 1.1 tp60 -83.31 2.97 33.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 0.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.563 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 3.9 p-80 41.18 39.59 0.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.61 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.33 -53.58 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.606 HH21 ' HG2' ' A' ' 15' ' ' GLN . 0.2 OUTLIER -92.96 -72.0 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 110.359 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.33 -5.22 54.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 69.03 37.24 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.2 t80 . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.545 0.212 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -43.89 138.72 2.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.754 ' HB3' ' CD2' ' A' ' 5' ' ' PHE . . . -89.26 169.21 13.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.385 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.63 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 18.3 Cg_endo -74.97 3.81 5.27 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 0.0 111.069 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.754 ' CD2' ' HB3' ' A' ' 3' ' ' ALA . 16.0 m-85 -28.64 -90.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.551 ' O ' HD12 ' A' ' 9' ' ' ILE . 15.7 t70 -96.15 -37.96 10.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.513 ' CG2' ' HA ' ' A' ' 4' ' ' PRO . 10.0 m -43.97 124.96 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.483 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 104.06 27.54 6.2 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.551 HD12 ' O ' ' A' ' 6' ' ' ASP . 0.1 OUTLIER -104.14 -6.72 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 0.727 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 1.019 ' C ' HD13 ' A' ' 11' ' ' LEU . 4.4 mtmt -39.44 -37.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.368 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.019 HD13 ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -122.69 48.55 1.76 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' ILE . 1.4 t -77.38 -63.96 1.25 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.37 -18.32 9.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.66 -36.22 14.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 0.775 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.453 ' OE1' ' NE ' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -76.06 47.93 0.47 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.542 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -55.87 133.37 51.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 111.067 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 16' ' ' TYR . 0.6 OUTLIER 42.44 21.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 16' ' ' TYR . 21.2 tp60 -76.32 2.79 12.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 110.214 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.567 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 3.8 p-80 40.79 39.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.419 ' HA3' ' NH2' ' A' ' 21' ' ' ARG . . . -130.77 -54.39 0.09 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.528 1.143 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.525 ' N ' ' NE ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -101.15 -74.12 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 0.734 . . . . 0.0 110.342 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.599 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -70.35 -18.39 63.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.79 HD12 ' N ' ' A' ' 224' ' ' NH2 . 0.3 OUTLIER 90.64 -177.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . 0.79 ' N ' HD12 ' A' ' 23' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.523 0.201 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -90.25 130.27 36.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.502 ' N ' ' HD3' ' A' ' 4' ' ' PRO . . . 41.57 60.33 8.65 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.502 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 18.1 Cg_endo -75.01 2.08 7.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -63.07 -132.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -75.55 -0.63 21.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 7' ' ' VAL . 36.6 t -84.46 7.44 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.454 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . -109.04 22.01 26.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.518 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -93.65 2.51 9.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.576 0.81 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.529 ' HB2' HD13 ' A' ' 11' ' ' LEU . 2.6 mtmp? -49.24 -23.98 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.818 HD22 ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -136.36 57.14 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.427 ' HA ' ' CB ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -90.4 -67.95 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.035 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.88 -22.06 8.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.402 1.064 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -80.65 -66.67 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.741 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.8 OUTLIER -37.25 -48.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.741 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 1.0 OUTLIER 53.95 135.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.163 . . . . 0.0 111.007 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.56 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 pt20 31.76 37.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.315 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.545 ' CB ' ' HB3' ' A' ' 15' ' ' GLN . 4.7 tm0? -85.79 3.08 43.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.438 1.087 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.446 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 8.3 p-80 39.62 39.56 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.574 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.68 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -141.85 -51.31 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.68 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -84.86 -72.79 0.46 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 0.763 . . . . 0.0 110.26 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.34 -5.92 59.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 mp 64.0 -98.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.4 t80 . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 120.518 0.199 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.609 ' O ' ' CD1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -43.68 120.1 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.758 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . -41.67 -51.46 9.21 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.758 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 18.1 Cg_endo -75.01 80.69 2.38 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.441 1.758 . . . . 0.0 110.973 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.609 ' CD1' ' O ' ' A' ' 2' ' ' ASN . 6.6 m-85 -80.34 -137.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -19.55 24.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.424 1.078 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 6.2 t -82.06 3.51 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.99 38.21 3.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.48 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -117.66 0.34 8.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 0.748 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.805 ' C ' HD22 ' A' ' 11' ' ' LEU . 1.4 mtmp? -46.77 -29.02 1.72 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.805 HD22 ' C ' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -128.85 48.94 2.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.397 1.061 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.421 ' HA ' ' CB ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -77.91 -66.05 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 110.098 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.55 -20.8 4.12 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.451 1.094 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' TYR . . . -85.49 -41.45 15.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 0.805 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.457 ' HG3' ' CG ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -68.7 56.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.584 ' CD2' ' HG2' ' A' ' 17' ' ' GLN . 26.0 p90 -57.79 128.42 36.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.584 ' HG2' ' CD2' ' A' ' 16' ' ' TYR . 2.7 pt20 43.62 22.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.336 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.467 ' N ' ' C ' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -72.49 -0.26 12.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.243 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.579 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 4.7 p-80 38.38 44.17 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.578 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.677 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -136.87 -57.76 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.677 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -81.29 -76.66 0.24 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 0.766 . . . . 0.0 110.339 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . -72.26 -9.73 58.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.709 ' O ' HD12 ' A' ' 23' ' ' LEU . 1.4 pp 37.4 80.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.448 ' O ' ' N ' ' A' ' 3' ' ' ALA . 63.7 t80 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.519 0.2 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -67.5 70.13 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.147 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.508 ' O ' HG22 ' A' ' 7' ' ' VAL . . . -164.99 59.72 0.68 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.532 ' HA ' ' CG2' ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.03 3.69 5.41 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.419 1.747 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.515 ' O ' ' C ' ' A' ' 6' ' ' ASP . 20.0 m-85 -58.62 -123.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.527 ' O ' HD12 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -30.75 -46.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.532 ' CG2' ' HA ' ' A' ' 4' ' ' PRO . 1.6 m -59.76 127.39 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.488 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 108.57 24.24 6.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.527 HD12 ' O ' ' A' ' 6' ' ' ASP . 0.2 OUTLIER -106.88 0.67 10.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.463 0.743 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.541 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -41.37 -28.62 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.827 HD22 ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -142.78 56.01 1.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.498 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.2 t -77.23 -68.33 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.46 -18.19 9.8 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -82.67 -65.13 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.82 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 2.2 tp-100 -36.43 -37.89 0.14 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.406 1.066 . . . . 0.0 110.264 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.82 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.6 p90 52.72 144.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.543 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER 32.59 33.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.586 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 40.0 tp60 -73.62 -1.58 19.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 18' ' ' GLN . 8.6 p-80 36.72 38.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.59 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -156.66 -45.59 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.445 1.09 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.555 ' HE ' ' N ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -86.51 -70.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 0.718 . . . . 0.0 110.341 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.47 -6.68 59.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 57.21 61.5 2.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 64.7 t80 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.505 0.193 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.35 140.42 2.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.494 ' N ' ' HD3' ' A' ' 4' ' ' PRO . . . 53.73 60.69 11.27 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.494 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 18.5 Cg_endo -74.99 1.53 7.63 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -67.23 -135.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 111.027 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -57.12 -18.04 13.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.242 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 2.9 t -78.04 -0.37 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.504 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . -100.3 48.24 1.21 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.566 1.166 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.6 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -135.04 9.48 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.444 0.732 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.839 ' CG ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -47.14 -24.26 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 109.233 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.839 HD13 ' CG ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -146.07 54.06 1.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.586 1.179 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.472 ' HB2' ' CG1' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -73.35 -69.39 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.95 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.76 -22.5 2.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.06 -42.16 21.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 0.762 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.481 ' HG3' ' CG ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -77.02 45.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.491 ' O ' ' N ' ' A' ' 18' ' ' GLN . 1.0 OUTLIER -51.52 133.23 30.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 16' ' ' TYR . 0.7 OUTLIER 41.39 23.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -77.27 3.59 12.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.579 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 3.9 p-80 39.82 41.17 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.625 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.932 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -132.52 -56.97 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.423 1.077 . . . . 0.0 111.029 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.932 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -90.54 -76.02 0.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 0.753 . . . . 0.0 110.333 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.16 -8.26 55.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.377 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 71.19 41.18 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 25.9 t80 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.451 0.167 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.474 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 1.9 p-10 -72.73 59.71 0.48 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.887 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . 176.98 -178.2 0.17 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.887 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 18.3 Cg_endo -74.99 4.16 4.98 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 110.968 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.825 ' CD2' ' HB3' ' A' ' 3' ' ' ALA . 47.4 m-85 -27.38 -89.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.132 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -99.43 -35.19 9.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.506 ' CG2' ' HA ' ' A' ' 4' ' ' PRO . 12.6 m -45.71 129.3 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.503 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 101.66 35.22 4.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.559 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -127.28 5.85 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.868 ' CG ' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -44.77 -24.68 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.868 HD13 ' CG ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -148.15 56.38 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.502 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 0.9 OUTLIER -74.22 -70.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.057 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.52 -19.11 5.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.569 1.168 . . . . 0.0 111.026 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -80.84 -65.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.82 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 6.1 tp-100 -36.23 -36.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.82 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.7 p90 52.48 144.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.042 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.536 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 33.06 33.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.579 1.175 . . . . 0.0 110.336 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.58 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 39.1 tp60 -73.95 -1.96 21.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 110.259 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.466 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 6.1 p-80 34.99 39.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.574 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.681 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -156.74 -46.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.497 1.123 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.681 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -86.56 -69.68 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.6 0.824 . . . . 0.0 110.376 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.33 -5.11 59.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.3 mt 43.29 60.23 2.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.413 1.07 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.403 ' O ' ' CG ' ' A' ' 1' ' ' PHE . 10.6 t80 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.535 0.207 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.672 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 1.4 p-10 -99.12 68.1 1.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.778 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . 163.56 -52.19 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.778 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 18.3 Cg_endo -74.97 3.88 5.21 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.53 1.805 . . . . 0.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.585 ' CZ ' ' HA ' ' A' ' 2' ' ' ASN . 46.4 m-85 -27.46 -88.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -99.72 -36.51 9.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.528 ' CG2' ' HA ' ' A' ' 4' ' ' PRO . 14.2 m -42.51 122.79 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 107.18 14.88 17.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.457 1.098 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.509 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -81.85 1.72 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.563 0.801 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 1.018 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -64.2 -35.75 81.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.018 HD13 ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -126.18 45.25 2.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -65.5 -64.27 0.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 109.996 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.14 -17.33 10.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -88.29 -58.56 2.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.337 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.752 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 34.8 mt-30 -38.81 -40.43 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.752 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 1.7 p90 52.72 140.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.57 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 0.8 OUTLIER 28.93 37.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.529 1.143 . . . . 0.0 110.348 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.598 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 16.3 tp60 -71.2 -0.82 10.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.555 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 3.8 p-80 39.85 39.23 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.629 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.739 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -144.85 -49.7 0.03 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.739 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -93.48 -72.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 0.0 110.277 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . -76.32 -6.01 49.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 21' ' ' ARG . 0.6 OUTLIER 37.07 62.55 0.79 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 109.361 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.526 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 55.6 t80 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.53 0.205 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.548 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 1.8 p-10 -97.55 68.55 2.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.798 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . -75.57 -53.74 2.5 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.798 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 18.2 Cg_endo -75.1 -21.64 15.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.54 1.811 . . . . 0.0 110.973 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.548 ' CE1' ' O ' ' A' ' 2' ' ' ASN . 67.2 m-85 59.78 -80.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 4' ' ' PRO . 1.4 m-20 -172.25 32.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.51 ' O ' ' CG1' ' A' ' 7' ' ' VAL . 1.2 t -102.09 2.26 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.454 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . -105.52 24.53 27.12 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.511 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -99.04 3.5 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.42 0.717 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.986 ' C ' HD13 ' A' ' 11' ' ' LEU . 2.2 mtmp? -48.41 -32.45 7.66 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.986 HD13 ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -125.1 57.71 1.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.477 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.4 t -96.65 -64.07 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.024 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.75 -19.92 37.76 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -82.61 -66.28 0.91 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 0.772 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.812 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -35.22 -42.97 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.812 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 1.9 p90 52.94 143.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.553 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 pt20 33.88 33.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.078 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.954 ' CG ' HH21 ' A' ' 21' ' ' ARG . 48.2 tp60 -79.26 0.2 29.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.492 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 4.9 p-80 33.47 40.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.627 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . -150.41 -48.91 0.02 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.954 HH21 ' CG ' ' A' ' 18' ' ' GLN . 1.0 OUTLIER -84.24 -71.6 0.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 0.75 . . . . 0.0 110.22 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . -84.16 -5.12 59.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.7 OUTLIER 36.18 -150.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.366 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.448 ' O ' ' N ' ' A' ' 3' ' ' ALA . 10.9 t80 . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.477 0.18 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -65.04 76.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.63 ' O ' HG22 ' A' ' 7' ' ' VAL . . . -154.66 56.82 1.55 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.554 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 18.4 Cg_endo -74.96 1.01 8.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.405 1.739 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 4' ' ' PRO . 19.1 m-85 -34.03 -82.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.798 ' O ' HD12 ' A' ' 9' ' ' ILE . 72.1 m-20 -92.57 -51.72 4.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 3' ' ' ALA . 5.9 m -39.47 126.02 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.504 ' O ' ' CG ' ' A' ' 21' ' ' ARG . . . 105.05 28.21 5.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.798 HD12 ' O ' ' A' ' 6' ' ' ASP . 0.3 OUTLIER -111.55 4.01 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.762 ' C ' HD13 ' A' ' 11' ' ' LEU . 5.2 mtmt -36.77 -36.35 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.857 HD22 ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -144.16 48.6 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.483 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.4 t -61.33 -69.15 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.66 -20.48 2.76 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.09 -49.6 9.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.781 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.756 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 6.9 mm-40 -48.43 -35.47 12.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.756 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.5 p90 51.24 140.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.535 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 32.31 34.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.319 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.566 HE22 ' NH2' ' A' ' 21' ' ' ARG . 19.6 tm0? -69.63 -2.97 13.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 4.0 p-80 39.63 39.14 0.48 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.574 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.758 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -165.52 -42.63 0.02 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.491 1.119 . . . . 0.0 111.068 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.758 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -89.22 -69.0 0.74 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 0.781 . . . . 0.0 110.293 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.05 -6.35 56.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.409 1.068 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt 50.24 65.29 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.41 ' O ' ' CD ' ' A' ' 4' ' ' PRO . 13.6 t80 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.524 0.202 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.66 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.2 OUTLIER -44.38 122.6 3.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.788 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . 164.45 -52.79 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.788 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 18.4 Cg_endo -75.0 79.44 2.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -48.5 -84.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.25 16.95 1.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 1.2 t -88.38 1.19 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -105.81 34.14 5.98 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.488 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -109.27 2.1 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.843 ' C ' HD22 ' A' ' 11' ' ' LEU . 1.7 mtmp? -51.22 -23.69 3.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.843 HD22 ' C ' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -130.39 50.76 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.26 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.95 -67.89 0.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 110.045 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.87 -21.8 2.54 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -79.95 -66.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 0.737 . . . . 0.0 109.357 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.816 ' HG2' HH21 ' A' ' 21' ' ' ARG . 0.8 OUTLIER -37.57 -50.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.703 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 0.7 OUTLIER 53.54 132.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 0.0 110.962 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.54 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 pt20 30.98 37.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.257 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.567 ' CD ' HH21 ' A' ' 21' ' ' ARG . 15.3 tm0? -86.5 3.56 43.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.482 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 6.1 p-80 40.38 38.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.619 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -139.67 -50.85 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.816 HH21 ' HG2' ' A' ' 15' ' ' GLN . 1.0 OUTLIER -91.9 -70.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 110.295 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.677 ' C ' HD12 ' A' ' 23' ' ' LEU . . . -84.46 -5.57 59.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.677 HD12 ' C ' ' A' ' 22' ' ' ALA . 2.0 mp 74.11 170.23 0.3 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.1 t80 . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.573 0.225 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.451 ' ND2' ' HB ' ' A' ' 7' ' ' VAL . 1.2 p-10 -71.55 -175.03 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.958 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . -52.88 -173.32 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.958 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 18.4 Cg_endo -75.03 3.62 5.47 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.796 ' CE1' ' HB3' ' A' ' 3' ' ' ALA . 16.3 m-85 -25.75 -86.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.404 ' H ' ' HB2' ' A' ' 5' ' ' PHE . 15.3 m-20 -141.63 13.76 2.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 7' ' ' VAL . 1.0 OUTLIER -80.77 -0.17 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -107.03 44.4 1.49 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.713 HG22 ' N ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -121.45 -68.1 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.713 ' N ' HG22 ' A' ' 9' ' ' ILE . 1.5 mtmp? 35.09 -94.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.64 HD22 ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -86.67 48.57 1.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.599 ' HB3' HG23 ' A' ' 9' ' ' ILE . 6.9 t -81.89 -52.38 7.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.29 -19.28 63.99 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 16' ' ' TYR . . . -87.75 -39.73 14.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.494 ' CA ' ' OE1' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -69.03 57.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.314 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.589 ' CD2' ' HG2' ' A' ' 17' ' ' GLN . 26.3 p90 -58.8 129.11 40.54 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.589 ' HG2' ' CD2' ' A' ' 16' ' ' TYR . 2.6 pt20 43.17 22.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.477 ' N ' ' C ' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -72.22 -0.12 11.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.332 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.559 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 5.2 p-80 41.29 41.74 1.55 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 109.591 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.795 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -134.91 -56.25 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.795 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -88.71 -75.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 110.282 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.18 -9.78 58.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 65.31 -99.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 45.7 t80 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.472 0.177 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -102.0 45.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 109.267 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.62 ' O ' HG22 ' A' ' 7' ' ' VAL . . . -150.0 56.27 2.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.564 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 18.7 Cg_endo -74.93 1.06 8.11 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 4' ' ' PRO . 26.7 m-85 -34.04 -82.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.735 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.1 m-20 -93.91 -50.81 5.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.62 HG22 ' O ' ' A' ' 3' ' ' ALA . 5.2 m -39.34 124.61 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.48 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 106.83 23.18 7.24 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.735 HD12 ' O ' ' A' ' 6' ' ' ASP . 0.3 OUTLIER -102.91 -2.42 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.529 ' C ' HD13 ' A' ' 11' ' ' LEU . 3.7 mtmt -45.9 -24.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.582 1.176 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.886 HD22 ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -143.83 48.77 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.241 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.46 ' OG ' ' CZ ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -62.42 -73.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.007 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.94 -22.12 1.11 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.487 1.117 . . . . 0.0 111.083 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.33 -59.81 2.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 0.753 . . . . 0.0 109.305 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 7.6 mm-40 -41.65 -33.08 0.43 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.766 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 3.6 p90 51.06 143.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.509 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.5 pt20 33.29 33.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 16' ' ' TYR . 0.4 OUTLIER -72.51 2.7 5.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 110.243 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.469 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 7.4 p-80 43.96 37.42 1.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.585 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.69 -51.87 0.08 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.573 1.171 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 1.047 HH21 ' HB2' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -106.1 -56.1 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 0.728 . . . . 0.0 110.373 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.047 ' HB2' HH21 ' A' ' 21' ' ' ARG . . . -84.58 -6.86 59.4 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 67.93 162.38 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.257 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.2 t80 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.523 0.201 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.711 ' HA ' HG21 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -40.77 125.96 2.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.913 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . -168.4 -178.17 0.58 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.913 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 18.2 Cg_endo -75.05 1.82 7.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.551 ' CD2' ' HB3' ' A' ' 3' ' ' ALA . 0.9 OUTLIER -72.95 -137.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.057 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -81.84 54.01 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.711 HG21 ' HA ' ' A' ' 2' ' ' ASN . 0.4 OUTLIER -101.58 0.01 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.454 ' O ' ' NE2' ' A' ' 15' ' ' GLN . . . -109.21 11.74 33.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 110.958 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.455 HG22 ' NZ ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -59.3 -28.94 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.761 . . . . 0.0 109.336 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.954 ' O ' HD13 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -40.51 -33.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.36 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.954 HD13 ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -131.27 49.46 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -72.2 -64.81 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.97 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.76 -18.13 16.55 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -89.24 -60.0 2.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.754 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 35.1 mt-30 -38.41 -41.9 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.754 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 1.5 p90 53.37 139.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.401 1.063 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.582 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 0.8 OUTLIER 28.82 38.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.616 ' CG ' ' HB3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -69.68 -1.91 10.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.342 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 3.8 p-80 40.16 38.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.555 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.697 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -140.16 -50.54 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.697 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -92.74 -70.32 0.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 0.754 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.13 -5.09 58.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mp 68.64 174.53 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.639 ' H2 ' ' HE2' ' A' ' 5' ' ' PHE . 38.8 t80 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.505 0.193 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.537 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 1.2 p-10 -100.77 46.19 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.229 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.542 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . 173.81 166.2 0.31 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.738 ' HA ' HG22 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.95 -32.84 5.13 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.508 1.794 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.639 ' HE2' ' H2 ' ' A' ' 1' ' ' PHE . 58.1 m-85 58.21 -77.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 4' ' ' PRO . 1.0 OUTLIER -140.37 14.55 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.269 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.738 HG22 ' HA ' ' A' ' 4' ' ' PRO . 4.3 m -91.95 122.61 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.444 ' O ' ' NE2' ' A' ' 15' ' ' GLN . . . 110.66 3.88 28.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.454 HD13 ' HB2' ' A' ' 12' ' ' SER . 0.2 OUTLIER -71.02 -16.52 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 0.761 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 1.027 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.68 -39.33 36.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.027 HD13 ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -122.97 47.03 2.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.454 ' HB2' HD13 ' A' ' 9' ' ' ILE . 1.1 t -59.86 -62.26 2.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.012 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.84 -16.25 38.18 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 11' ' ' LEU . . . -91.22 -63.03 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.626 0.839 . . . . 0.0 109.254 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.702 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -32.48 -56.25 0.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 110.265 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.741 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER 54.49 127.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.945 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.581 ' HG2' ' CD1' ' A' ' 16' ' ' TYR . 1.5 pt20 31.32 38.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.35 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 16' ' ' TYR . 6.6 tm0? -74.61 3.97 6.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.528 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 8.1 p-80 44.57 42.8 5.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.545 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -125.28 -58.48 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -102.63 -74.4 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.434 0.726 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' A' ' 23' ' ' LEU . . . -64.82 -12.64 50.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 14.8 mt 68.04 41.42 2.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 3' ' ' ALA . 4.0 t80 . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.473 0.178 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.427 ' ND2' ' N ' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -40.96 97.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.594 ' O ' HG21 ' A' ' 7' ' ' VAL . . . -137.7 60.42 24.85 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 109.349 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.501 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 18.2 Cg_endo -75.05 1.14 8.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.494 1.786 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.626 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.7 m-85 -68.33 -134.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.68 71.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -117.12 -3.27 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.813 ' O ' HD22 ' A' ' 11' ' ' LEU . . . -106.63 1.88 36.56 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.493 1.121 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.4 -23.59 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.593 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -45.16 -29.52 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.835 HD22 ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -140.83 50.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.578 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 1.5 t -65.75 -67.11 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.097 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.87 -13.6 3.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.441 1.088 . . . . 0.0 111.035 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.7 -43.7 7.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 0.746 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.692 ' O ' ' O ' ' A' ' 16' ' ' TYR . 1.2 pt20 -59.47 -49.12 79.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.239 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.692 ' O ' ' O ' ' A' ' 15' ' ' GLN . 1.1 p90 47.98 130.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.534 ' HG2' ' CD1' ' A' ' 16' ' ' TYR . 1.8 pt20 32.74 35.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' A' ' 16' ' ' TYR . 0.9 OUTLIER -77.2 5.68 7.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.279 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 4.6 p-80 50.94 37.48 17.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.565 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.433 ' HA3' ' NH2' ' A' ' 21' ' ' ARG . . . -133.98 -52.23 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.517 ' HE ' ' N ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -110.17 -69.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 110.314 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -64.74 -14.68 59.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.082 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.621 HD12 ' C ' ' A' ' 23' ' ' LEU . 2.5 pp 43.82 -166.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . 0.512 ' N ' HD12 ' A' ' 23' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.583 1.177 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.9 t80 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.501 0.191 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.414 ' C ' ' HD3' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -43.49 155.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.409 ' HA ' ' CE2' ' A' ' 5' ' ' PHE . . . -130.76 66.4 78.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.414 ' HD3' ' C ' ' A' ' 2' ' ' ASN . 18.2 Cg_endo -74.99 4.4 4.76 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.409 ' CE2' ' HA ' ' A' ' 3' ' ' ALA . 2.5 m-85 -64.88 -138.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 6' ' ' ASP . 1.1 p-10 -54.82 -19.34 6.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.241 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.577 HG12 ' O ' ' A' ' 7' ' ' VAL . 55.1 t -81.65 5.31 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.483 ' O ' ' CG ' ' A' ' 21' ' ' ARG . . . -108.29 43.45 1.7 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.518 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -124.96 1.6 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.764 . . . . 0.0 109.274 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.871 ' C ' HD22 ' A' ' 11' ' ' LEU . 2.7 mtmt -45.18 -29.82 1.03 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.871 HD22 ' C ' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -138.03 45.29 2.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.49 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.2 t -61.51 -69.08 0.26 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.44 -20.5 2.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' A' ' 11' ' ' LEU . . . -83.96 -55.82 4.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.757 . . . . 0.0 109.36 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.803 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 5.0 mm-40 -38.14 -30.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.803 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 5.6 p90 50.92 138.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.552 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 29.62 36.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.578 ' N ' ' O ' ' A' ' 16' ' ' TYR . 28.4 tp60 -68.92 -2.11 8.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.456 1.097 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.564 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 3.0 p-80 35.91 39.47 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 109.587 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.742 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -164.57 -41.48 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.742 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -88.16 -69.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.786 . . . . 0.0 110.35 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.79 -5.74 58.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.238 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.9 mt 48.46 56.25 7.78 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 73.1 t80 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.516 0.198 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.45 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 1.4 p-10 -99.54 44.98 1.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.425 1.078 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 1.064 ' HB3' ' CZ ' ' A' ' 5' ' ' PHE . . . 177.95 151.64 0.43 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 5' ' ' PHE . 18.4 Cg_endo -75.0 57.24 4.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 1.064 ' CZ ' ' HB3' ' A' ' 3' ' ' ALA . 24.6 m-85 -60.38 -131.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -95.61 12.5 29.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.455 HG23 ' HB2' ' A' ' 5' ' ' PHE . 1.9 t -81.3 3.2 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.436 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . -106.06 23.36 29.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.472 1.107 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.496 HG13 ' CG ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -97.21 1.19 10.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.544 0.79 . . . . 0.0 109.24 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.592 ' HB2' HD13 ' A' ' 11' ' ' LEU . 2.4 mtmp? -45.9 -30.13 1.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.682 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -133.6 61.74 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.446 ' HB2' ' CB ' ' A' ' 21' ' ' ARG . 1.2 t -102.71 -66.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.53 -20.02 43.96 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.599 1.187 . . . . 0.0 110.998 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -83.45 -67.47 0.79 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.519 0.776 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.824 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -36.54 -41.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.824 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.1 p90 52.88 145.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.55 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 34.73 32.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.404 1.065 . . . . 0.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.815 ' CD ' HH21 ' A' ' 21' ' ' ARG . 8.2 tm0? -77.89 1.93 18.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 110.236 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.473 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 7.1 p-80 36.01 41.19 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.432 1.083 . . . . 0.0 109.612 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.402 ' HA3' ' NE2' ' A' ' 18' ' ' GLN . . . -135.83 -54.05 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.815 HH21 ' CD ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -101.13 -73.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 110.217 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.79 -12.71 61.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.59 1.181 . . . . 0.0 109.353 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 72.52 166.86 0.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 3' ' ' ALA . 28.3 t80 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.556 0.217 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.593 ' HB2' ' CD1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -49.76 91.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.26 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.962 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . -85.14 -58.86 0.34 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.18 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.962 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 18.3 Cg_endo -75.05 78.82 2.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.593 ' CD1' ' HB2' ' A' ' 2' ' ' ASN . 38.8 m-85 -147.72 -88.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 111.061 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -92.84 28.78 1.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.594 1.184 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 3' ' ' ALA . 16.8 m -91.52 121.82 42.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.432 ' O ' ' NE2' ' A' ' 15' ' ' GLN . . . 107.03 6.35 34.4 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.582 HD13 ' HB2' ' A' ' 12' ' ' SER . 0.0 OUTLIER -68.89 -17.88 22.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.517 0.774 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 1.018 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -42.73 -36.3 1.4 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.018 HD13 ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -122.18 43.77 2.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.267 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.582 ' HB2' HD13 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -61.17 -63.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.981 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.96 -13.5 4.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.44 1.087 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.34 -28.01 12.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.242 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.56 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 1.0 OUTLIER -85.24 30.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.532 ' CD2' ' O ' ' A' ' 16' ' ' TYR . 45.4 p90 -54.29 120.88 7.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 16' ' ' TYR . 0.7 OUTLIER 40.78 25.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 110.308 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.523 ' HB3' HH21 ' A' ' 21' ' ' ARG . 1.4 mm-40 -65.95 -6.93 14.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.579 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 3.9 p-80 40.02 41.34 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.658 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.01 -56.69 0.08 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.487 1.117 . . . . 0.0 110.93 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.523 HH21 ' HB3' ' A' ' 18' ' ' GLN . 0.4 OUTLIER -87.75 -75.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.384 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.523 ' HB2' ' OE1' ' A' ' 15' ' ' GLN . . . -76.81 -8.47 57.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 75.15 38.84 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 8.9 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.505 0.193 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -100.68 121.39 41.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.788 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . -47.03 -52.58 32.86 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.402 1.063 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.788 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 18.3 Cg_endo -74.96 79.8 2.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.483 1.78 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -81.38 -88.36 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.948 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.69 -6.29 40.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.588 ' CG2' ' HA ' ' A' ' 4' ' ' PRO . 19.0 m -71.79 127.11 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.528 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 102.61 32.37 4.84 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.536 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -114.62 3.42 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 109.342 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.962 ' HG2' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -47.01 -35.96 7.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.563 1.164 . . . . 0.0 109.318 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.962 HD13 ' HG2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -127.52 51.58 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -76.91 -63.36 1.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.35 -20.6 37.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.541 1.15 . . . . 0.0 110.978 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -79.9 -66.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.807 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 2.3 tp-100 -35.04 -40.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.807 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.2 p90 52.74 143.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 111.055 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.546 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 32.77 33.78 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 1.003 ' CG ' HH21 ' A' ' 21' ' ' ARG . 46.6 tp60 -74.21 -2.47 24.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 110.372 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 18' ' ' GLN . 7.4 p-80 35.83 39.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.599 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -154.04 -47.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.448 1.092 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 1.003 HH21 ' CG ' ' A' ' 18' ' ' GLN . 0.9 OUTLIER -92.62 -71.57 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 0.729 . . . . 0.0 110.289 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.29 -7.95 56.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mt 56.6 46.5 20.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.248 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.429 1.08 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 16.9 t80 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.499 0.19 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.53 HD21 ' HE2' ' A' ' 5' ' ' PHE . 1.8 p-10 -97.95 167.51 10.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -50.09 154.06 2.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 6' ' ' ASP . 18.3 Cg_endo -75.05 -21.32 15.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 110.982 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.53 ' HE2' HD21 ' A' ' 2' ' ' ASN . 40.2 m-85 60.21 -79.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.988 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 4' ' ' PRO . 1.2 m-20 -174.81 33.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.447 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 1.1 t -104.64 -2.34 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.32 37.12 3.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.447 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -114.73 -1.42 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.229 -179.974 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.442 ' CE ' ' O ' ' A' ' 7' ' ' VAL . 1.9 mtmp? -50.44 -21.94 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.865 ' CD1' HE22 ' A' ' 15' ' ' GLN . 0.5 OUTLIER -131.99 47.2 2.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.952 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.6 -69.39 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.56 -23.53 1.39 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.514 1.133 . . . . 0.0 110.998 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -76.35 -61.83 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.774 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.865 HE22 ' CD1' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -36.07 -51.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.734 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 0.5 OUTLIER 52.15 125.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 -179.948 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.559 ' HG2' ' CD1' ' A' ' 16' ' ' TYR . 1.9 pt20 32.82 34.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.603 1.189 . . . . 0.0 110.269 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.531 ' N ' ' O ' ' A' ' 16' ' ' TYR . 1.5 tp60 -84.67 3.66 36.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.367 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.567 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 4.4 p-80 42.28 40.63 1.85 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.516 1.135 . . . . 0.0 109.605 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.465 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -130.48 -54.64 0.1 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.375 1.047 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.465 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -106.67 -72.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 110.251 -179.942 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.545 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . -65.37 -11.63 44.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.733 HD12 ' N ' ' A' ' 224' ' ' NH2 . 0.9 OUTLIER -28.13 -47.14 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 -179.961 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . 0.733 ' N ' HD12 ' A' ' 23' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.102 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.401 ' O ' ' O ' ' A' ' 2' ' ' ASN . 13.0 t80 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.471 0.176 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 1' ' ' PHE . 0.7 OUTLIER -51.13 -178.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.933 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.721 ' HB1' ' CE1' ' A' ' 5' ' ' PHE . . . -120.17 162.24 34.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.461 ' O ' ' C ' ' A' ' 5' ' ' PHE . 18.4 Cg_endo -74.97 -0.44 9.96 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.791 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.721 ' CE1' ' HB1' ' A' ' 3' ' ' ALA . 9.2 m-30 -32.57 -86.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -142.54 15.2 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 7' ' ' VAL . 1.1 t -82.2 4.83 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.484 ' HA2' ' NZ ' ' A' ' 10' ' ' LYS . . . -120.69 51.55 0.77 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.633 HD13 ' CB ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -112.39 -20.91 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 0.774 . . . . 0.0 109.23 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.862 ' O ' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -42.12 -32.03 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.862 HD13 ' O ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -126.34 51.9 1.76 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.633 ' CB ' HD13 ' A' ' 9' ' ' ILE . 1.4 t -79.33 -63.31 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.969 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.9 -22.63 27.85 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.423 1.077 . . . . 0.0 111.077 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -81.4 -65.87 0.96 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.488 0.758 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.712 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 1.9 mp0 -35.62 -51.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.712 ' CD2' ' O ' ' A' ' 15' ' ' GLN . 0.6 OUTLIER 54.24 131.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.945 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.55 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.4 pt20 31.57 36.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.773 ' HG3' HH21 ' A' ' 21' ' ' ARG . 36.5 tp60 -77.6 1.13 20.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.429 ' ND1' ' O ' ' A' ' 18' ' ' GLN . 11.1 p-80 41.57 35.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.583 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -161.59 -42.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.773 HH21 ' HG3' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -75.89 -62.12 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 110.287 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -97.56 -4.51 37.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.613 HD12 ' C ' ' A' ' 23' ' ' LEU . 2.5 pp 43.48 -166.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . 0.52 ' N ' HD12 ' A' ' 23' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.501 0.191 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -97.13 50.92 1.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.407 1.067 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.609 ' O ' HG22 ' A' ' 7' ' ' VAL . . . -148.47 56.5 2.6 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.573 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 18.3 Cg_endo -74.95 0.9 8.32 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.453 ' C ' ' O ' ' A' ' 4' ' ' PRO . 49.6 m-85 -33.82 -82.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 7' ' ' VAL . 5.6 m-20 -92.99 -51.49 5.03 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 3' ' ' ALA . 6.1 m -38.86 127.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.461 ' HA2' ' HE2' ' A' ' 10' ' ' LYS . . . 107.07 30.93 4.01 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.599 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -127.0 9.0 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 0.726 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.535 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -35.29 -36.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.839 HD22 ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -148.77 52.51 0.98 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.118 . . . . 0.0 109.348 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.518 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -61.56 -69.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.085 . . . . 0.0 109.997 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.65 -19.2 4.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.606 ' HB3' ' HB2' ' A' ' 11' ' ' LEU . . . -86.45 -52.39 5.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.804 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 2.5 mm-40 -40.16 -28.55 0.06 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.804 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 7.1 p90 50.61 136.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 111.03 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.538 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 pt20 30.94 36.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.372 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.54 ' N ' ' O ' ' A' ' 16' ' ' TYR . 20.1 tm0? -66.24 -4.47 7.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.551 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 3.9 p-80 38.9 39.55 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.671 -179.93 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.609 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -165.52 -42.64 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.563 1.164 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.609 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -88.73 -69.73 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 0.741 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.68 -6.66 56.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.57 168.42 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.6 t80 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.544 0.211 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.09 108.88 0.65 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.113 . . . . 0.0 109.248 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.823 ' HB3' ' CD2' ' A' ' 5' ' ' PHE . . . -104.57 161.74 21.91 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.53 ' HA ' ' CG2' ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.98 2.35 6.71 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.43 1.753 . . . . 0.0 111.015 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.823 ' CD2' ' HB3' ' A' ' 3' ' ' ALA . 16.2 m-85 -30.11 -89.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -128.22 50.29 2.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.53 ' CG2' ' HA ' ' A' ' 4' ' ' PRO . 2.5 m -106.55 119.89 56.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.475 ' HA3' ' CG ' ' A' ' 21' ' ' ARG . . . 108.19 4.33 33.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.422 1.076 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.17 -6.03 5.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.771 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 1.003 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -57.05 -32.86 66.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.003 HD13 ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -122.39 42.75 3.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.919 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.522 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 1.2 t -64.55 -62.84 1.34 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 110.077 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.89 -14.19 3.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.52 -41.71 6.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 0.806 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.764 ' O ' ' O ' ' A' ' 16' ' ' TYR . 1.6 pt20 -63.86 -48.66 75.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.764 ' O ' ' O ' ' A' ' 15' ' ' GLN . 1.0 OUTLIER 40.95 121.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.383 1.052 . . . . 0.0 111.042 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.564 ' HG2' ' CD1' ' A' ' 16' ' ' TYR . 2.4 pt20 31.64 36.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.521 ' N ' ' O ' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -60.0 -7.6 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.477 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 6.1 p-80 47.28 33.71 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.516 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -143.09 -45.61 0.05 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.475 ' CG ' ' HA3' ' A' ' 8' ' ' GLY . 1.0 OUTLIER -93.58 -66.43 0.92 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 0.768 . . . . 0.0 110.28 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.17 -4.17 56.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 74.65 169.63 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.5 t80 . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.49 0.186 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.675 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.5 OUTLIER -97.56 81.71 2.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.798 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . 164.74 -53.38 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.798 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 18.2 Cg_endo -74.98 80.24 2.47 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.58 1.831 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.551 ' CZ ' ' HA ' ' A' ' 3' ' ' ALA . 6.7 m-85 -92.17 -138.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.76 -13.44 62.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.9 t -75.45 133.92 30.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.511 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 98.6 34.5 5.24 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.105 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.652 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -122.94 12.36 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.781 ' CG ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -47.37 -22.14 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.781 HD13 ' CG ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -155.18 50.96 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 179.968 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.495 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.3 t -69.81 -73.89 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 0.0 109.975 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.92 -23.23 1.44 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.425 1.078 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.467 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -74.83 -66.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 0.797 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.827 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -33.88 -40.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.296 179.957 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.827 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.4 p90 52.55 146.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.542 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 33.79 32.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.976 ' CG ' HH21 ' A' ' 21' ' ' ARG . 41.1 tp60 -79.98 0.49 31.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.523 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 3.7 p-80 32.39 40.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.631 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . -154.7 -47.27 0.02 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.976 HH21 ' CG ' ' A' ' 18' ' ' GLN . 1.1 mpp_? -88.36 -69.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.58 0.812 . . . . 0.0 110.294 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . -83.08 -4.74 58.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER 37.28 59.78 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 3' ' ' ALA . 7.3 t80 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.523 0.201 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.472 ' N ' ' ND2' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -40.53 97.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.464 ' N ' ' HD3' ' A' ' 4' ' ' PRO . . . -176.01 61.59 0.21 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 18.2 Cg_endo -74.98 1.36 7.82 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.563 1.823 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -67.64 -135.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.406 1.066 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -54.97 -18.81 5.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 3.4 t -80.0 2.76 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.73 45.43 1.3 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.755 HG22 ' N ' ' A' ' 10' ' ' LYS . 1.0 OUTLIER -126.03 -72.74 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.497 0.763 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.755 ' N ' HG22 ' A' ' 9' ' ' ILE . 1.7 mtmp? 38.85 -91.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.793 HD23 ' CG ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -92.72 43.53 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.581 ' HB3' HG23 ' A' ' 9' ' ' ILE . 2.1 t -65.81 -56.09 13.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 110.039 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.9 -13.48 47.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.04 -52.15 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.793 ' CG ' HD23 ' A' ' 11' ' ' LEU . 5.7 mm-40 -47.4 -34.22 6.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.357 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.755 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.8 p90 51.05 142.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.524 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 pt20 32.38 34.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 16' ' ' TYR . 9.7 tt0 -73.46 3.45 6.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.535 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 5.1 p-80 48.68 35.84 6.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 109.575 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -121.25 -55.22 0.23 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 1.058 HH21 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -113.6 -46.33 3.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 0.75 . . . . 0.0 110.304 -179.949 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.058 ' HB2' HH21 ' A' ' 21' ' ' ARG . . . -78.85 -22.3 46.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 72.58 -61.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.0 t80 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.484 0.183 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.742 ' HA ' HG11 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -43.22 131.86 4.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 -179.995 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.884 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . -173.27 -179.02 0.43 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.085 . . . . 0.0 109.337 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.884 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 18.2 Cg_endo -74.93 2.51 6.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.732 ' CD2' ' HB3' ' A' ' 3' ' ' ALA . 1.1 m-30 -67.45 -137.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 111.047 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -70.28 -10.73 59.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.742 HG11 ' HA ' ' A' ' 2' ' ' ASN . 2.3 t -70.49 132.74 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 10' ' ' LYS . . . 88.14 -48.65 3.66 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.835 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER 36.67 31.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 109.254 -179.952 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.792 ' HB2' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -59.29 -55.54 33.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.949 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.792 HD13 ' HB2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -102.03 60.93 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.48 ' CB ' HG12 ' A' ' 9' ' ' ILE . 1.2 t -106.53 -58.1 1.97 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.608 1.192 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.08 -15.39 62.84 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -88.03 -63.45 1.3 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 0.759 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.777 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -34.86 -46.13 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.777 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 1.3 p90 53.38 144.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.626 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 2.8 pt20 35.13 30.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.391 1.057 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.636 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 45.0 tp60 -78.53 0.78 24.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 110.378 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.462 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 6.0 p-80 34.78 38.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.566 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.53 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -148.17 -48.12 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.53 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -93.87 -70.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.68 -6.3 58.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.9 mp 48.6 63.71 1.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.429 1.081 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 3' ' ' ALA . 11.3 t80 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.551 0.215 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -44.43 96.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.082 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.557 ' N ' ' HD3' ' A' ' 4' ' ' PRO . . . -168.05 57.28 0.36 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.719 ' HA ' HG22 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.97 1.99 7.12 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 111.031 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' A' ' 4' ' ' PRO . 22.9 m-85 -33.02 -81.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.131 . . . . 0.0 111.08 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -132.87 43.09 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.404 1.065 . . . . 0.0 109.355 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.719 HG22 ' HA ' ' A' ' 4' ' ' PRO . 20.9 m -97.2 120.74 46.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.444 ' O ' ' NH1' ' A' ' 21' ' ' ARG . . . 106.91 4.0 36.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.435 HG12 ' CG ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -54.82 -28.17 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.783 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.78 ' HG2' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -64.67 -12.29 44.71 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.78 HD23 ' HG2' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -146.14 48.12 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -85.42 -67.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.06 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.92 -21.66 1.72 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.65 -60.96 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.763 ' HG3' HD12 ' A' ' 11' ' ' LEU . 61.8 mt-30 -43.87 -32.98 1.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.223 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.759 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 3.5 p90 50.98 145.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 111.047 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.541 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 30.69 34.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.351 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.605 ' HB3' HH21 ' A' ' 21' ' ' ARG . 10.2 tm0? -75.03 1.04 13.98 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.404 1.065 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.589 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 3.7 p-80 37.19 42.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.617 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.98 -53.36 0.1 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.389 1.055 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.605 HH21 ' HB3' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -103.92 -74.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.403 0.708 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.91 -13.08 61.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.223 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 76.36 50.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 t -77.33 125.65 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.517 ' O ' HD22 ' A' ' 11' ' ' LEU . . . 108.82 8.75 27.6 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.427 1.079 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -77.93 -12.59 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 109.219 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.598 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -54.32 -18.85 4.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.873 HD23 HE22 ' A' ' 15' ' ' GLN . 0.0 OUTLIER -141.45 53.21 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.474 ' HA ' ' CB ' ' A' ' 21' ' ' ARG . 1.2 t -79.08 -69.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.068 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.17 -21.61 2.78 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -77.48 -61.34 2.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.566 0.804 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.873 HE22 HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -35.38 -44.2 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 110.274 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.724 ' CD2' ' O ' ' A' ' 15' ' ' GLN . 1.6 p90 49.41 122.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.57 ' HG2' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER 32.63 34.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.28 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.534 ' N ' ' O ' ' A' ' 16' ' ' TYR . 1.1 tp60 -83.31 2.97 33.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 0.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.563 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 1.2 p80 41.18 39.59 0.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.61 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.33 -53.58 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.606 HH21 ' HG2' ' A' ' 15' ' ' GLN . 0.2 OUTLIER -92.96 -72.0 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 110.359 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.33 -5.22 54.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.551 ' O ' HD12 ' A' ' 9' ' ' ILE . 15.7 t70 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.0 m -43.97 124.96 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.483 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 104.06 27.54 6.2 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.551 HD12 ' O ' ' A' ' 6' ' ' ASP . 0.1 OUTLIER -104.14 -6.72 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 0.727 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 1.019 ' C ' HD13 ' A' ' 11' ' ' LEU . 4.4 mtmt -39.44 -37.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.368 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.019 HD13 ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -122.69 48.55 1.76 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' ILE . 1.4 t -77.38 -63.96 1.25 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.37 -18.32 9.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.66 -36.22 14.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 0.775 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.453 ' OE1' ' NE ' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -76.06 47.93 0.47 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.542 ' CD1' ' O ' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -55.87 133.37 51.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 111.067 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 16' ' ' TYR . 0.6 OUTLIER 42.44 21.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 16' ' ' TYR . 21.2 tp60 -76.32 2.79 12.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 110.214 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 1.2 p80 40.79 39.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.419 ' HA3' ' NH2' ' A' ' 21' ' ' ARG . . . -130.77 -54.39 0.09 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.528 1.143 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.525 ' N ' ' NE ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -101.15 -74.12 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 0.734 . . . . 0.0 110.342 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.599 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -70.35 -18.39 63.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 22' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.597 ' O ' HG12 ' A' ' 7' ' ' VAL . 36.6 t -84.46 7.44 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.454 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . -109.04 22.01 26.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.518 ' CG2' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -93.65 2.51 9.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.576 0.81 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.529 ' HB2' HD13 ' A' ' 11' ' ' LEU . 2.6 mtmp? -49.24 -23.98 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.818 ' H ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -136.36 57.14 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.427 ' HA ' ' CB ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -90.4 -67.95 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.035 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.88 -22.06 8.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.402 1.064 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -80.65 -66.67 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.741 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -37.25 -48.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.741 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 1.0 OUTLIER 53.95 135.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.163 . . . . 0.0 111.007 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.56 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 pt20 31.76 37.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.315 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.564 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 4.7 tm0? -85.79 3.08 43.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.438 1.087 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.564 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 2.2 p80 39.62 39.56 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.574 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.68 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -141.85 -51.31 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.68 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -84.86 -72.79 0.46 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 0.763 . . . . 0.0 110.26 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.34 -5.92 59.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 6.2 t -82.06 3.51 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.99 38.21 3.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.48 ' CG2' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -117.66 0.34 8.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 0.748 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.805 ' C ' HD22 ' A' ' 11' ' ' LEU . 1.4 mtmp? -46.77 -29.02 1.72 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.805 HD22 ' C ' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -128.85 48.94 2.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.397 1.061 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.421 ' HA ' ' CB ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -77.91 -66.05 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 110.098 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.55 -20.8 4.12 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.451 1.094 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' TYR . . . -85.49 -41.45 15.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 0.805 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.457 ' HG3' ' CG ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -68.7 56.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.584 ' CD2' ' HG2' ' A' ' 17' ' ' GLN . 26.0 p90 -57.79 128.42 36.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.584 ' HG2' ' CD2' ' A' ' 16' ' ' TYR . 2.7 pt20 43.62 22.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.336 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.467 ' N ' ' C ' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -72.49 -0.26 12.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.243 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 1.3 p80 38.38 44.17 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.578 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.677 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -136.87 -57.76 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.677 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -81.29 -76.66 0.24 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 0.766 . . . . 0.0 110.339 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . -72.26 -9.73 58.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.709 ' O ' HD12 ' A' ' 23' ' ' LEU . 1.4 pp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.527 ' O ' HD12 ' A' ' 9' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 m -59.76 127.39 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.488 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 108.57 24.24 6.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.527 HD12 ' O ' ' A' ' 6' ' ' ASP . 0.2 OUTLIER -106.88 0.67 10.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.463 0.743 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.541 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -41.37 -28.62 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.827 ' H ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -142.78 56.01 1.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.498 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.2 t -77.23 -68.33 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.46 -18.19 9.8 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -82.67 -65.13 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.82 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 2.2 tp-100 -36.43 -37.89 0.14 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.406 1.066 . . . . 0.0 110.264 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.82 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.6 p90 52.72 144.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.543 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER 32.59 33.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.586 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 40.0 tp60 -73.62 -1.58 19.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 2.0 p80 36.72 38.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.59 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -156.66 -45.59 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.445 1.09 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.555 ' HE ' ' N ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -86.51 -70.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 0.718 . . . . 0.0 110.341 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.47 -6.68 59.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 2.9 t -78.04 -0.37 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.504 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . -100.3 48.24 1.21 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.566 1.166 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.6 ' CG2' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -135.04 9.48 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.444 0.732 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.839 ' CG ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -47.14 -24.26 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 109.233 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.839 HD13 ' CG ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -146.07 54.06 1.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.586 1.179 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.472 ' HB2' ' CG1' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -73.35 -69.39 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.95 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.76 -22.5 2.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.06 -42.16 21.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 0.762 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.481 ' HG3' ' CG ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -77.02 45.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.491 ' O ' ' N ' ' A' ' 18' ' ' GLN . 1.0 OUTLIER -51.52 133.23 30.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 16' ' ' TYR . 0.7 OUTLIER 41.39 23.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -77.27 3.59 12.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 1.1 p80 39.82 41.17 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.625 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.932 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -132.52 -56.97 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.423 1.077 . . . . 0.0 111.029 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.932 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -90.54 -76.02 0.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 0.753 . . . . 0.0 110.333 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.16 -8.26 55.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.377 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.6 m -45.71 129.3 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.503 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 101.66 35.22 4.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.559 ' CG2' ' O ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -127.28 5.85 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.868 ' CG ' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -44.77 -24.68 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.868 HD13 ' CG ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -148.15 56.38 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.502 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 0.9 OUTLIER -74.22 -70.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.057 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.52 -19.11 5.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.569 1.168 . . . . 0.0 111.026 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -80.84 -65.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.82 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 6.1 tp-100 -36.23 -36.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.82 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.7 p90 52.48 144.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.042 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.536 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 33.06 33.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.579 1.175 . . . . 0.0 110.336 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.58 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 39.1 tp60 -73.95 -1.96 21.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 110.259 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.482 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.3 p80 34.99 39.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.574 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.681 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -156.74 -46.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.497 1.123 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.681 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -86.56 -69.68 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.6 0.824 . . . . 0.0 110.376 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.33 -5.11 59.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.3 mt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.2 m -42.51 122.79 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 107.18 14.88 17.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.457 1.098 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.509 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -81.85 1.72 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.563 0.801 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 1.018 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -64.2 -35.75 81.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.018 HD13 ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -126.18 45.25 2.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -65.5 -64.27 0.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 109.996 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.14 -17.33 10.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -88.29 -58.56 2.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.337 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.752 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 34.8 mt-30 -38.81 -40.43 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.752 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 1.7 p90 52.72 140.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.57 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 0.8 OUTLIER 28.93 37.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.529 1.143 . . . . 0.0 110.348 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.598 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 16.3 tp60 -71.2 -0.82 10.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 1.1 p80 39.85 39.23 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.629 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.739 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -144.85 -49.7 0.03 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.739 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -93.48 -72.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 0.0 110.277 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . -76.32 -6.01 49.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 21' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 109.361 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.51 ' O ' ' CG1' ' A' ' 7' ' ' VAL . 1.2 t -102.09 2.26 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.454 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . -105.52 24.53 27.12 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.511 ' CG2' ' O ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -99.04 3.5 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.42 0.717 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.986 ' C ' HD13 ' A' ' 11' ' ' LEU . 2.2 mtmp? -48.41 -32.45 7.66 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.986 HD13 ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -125.1 57.71 1.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.477 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.4 t -96.65 -64.07 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.024 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.75 -19.92 37.76 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -82.61 -66.28 0.91 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 0.772 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.812 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -35.22 -42.97 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.812 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 1.9 p90 52.94 143.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.553 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 pt20 33.88 33.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.078 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.954 ' CG ' HH21 ' A' ' 21' ' ' ARG . 48.2 tp60 -79.26 0.2 29.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 0.9 OUTLIER 33.47 40.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.627 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . -150.41 -48.91 0.02 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.954 HH21 ' CG ' ' A' ' 18' ' ' GLN . 1.0 OUTLIER -84.24 -71.6 0.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 0.75 . . . . 0.0 110.22 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . -84.16 -5.12 59.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.366 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.798 ' O ' HD12 ' A' ' 9' ' ' ILE . 72.1 m-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' ASP . 5.9 m -39.47 126.02 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.504 ' O ' ' CG ' ' A' ' 21' ' ' ARG . . . 105.05 28.21 5.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.798 HD12 ' O ' ' A' ' 6' ' ' ASP . 0.3 OUTLIER -111.55 4.01 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.762 ' C ' HD13 ' A' ' 11' ' ' LEU . 5.2 mtmt -36.77 -36.35 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.857 ' H ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -144.16 48.6 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.483 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.4 t -61.33 -69.15 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.66 -20.48 2.76 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.09 -49.6 9.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.781 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.756 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 6.9 mm-40 -48.43 -35.47 12.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.756 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.5 p90 51.24 140.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.535 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 32.31 34.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.319 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.566 HE22 ' NH2' ' A' ' 21' ' ' ARG . 19.6 tm0? -69.63 -2.97 13.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 1.1 p80 39.63 39.14 0.48 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.574 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.758 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -165.52 -42.63 0.02 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.491 1.119 . . . . 0.0 111.068 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.758 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -89.22 -69.0 0.74 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 0.781 . . . . 0.0 110.293 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.05 -6.35 56.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.409 1.068 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 1.2 t -88.38 1.19 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -105.81 34.14 5.98 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.488 ' CG2' ' O ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -109.27 2.1 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.843 ' C ' HD22 ' A' ' 11' ' ' LEU . 1.7 mtmp? -51.22 -23.69 3.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.843 HD22 ' C ' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -130.39 50.76 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.26 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.95 -67.89 0.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 110.045 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.87 -21.8 2.54 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -79.95 -66.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 0.737 . . . . 0.0 109.357 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.816 ' HG2' HH21 ' A' ' 21' ' ' ARG . 0.1 OUTLIER -37.57 -50.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.703 ' CD1' ' O ' ' A' ' 16' ' ' TYR . 0.7 OUTLIER 53.54 132.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 0.0 110.962 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.54 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 pt20 30.98 37.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.257 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.567 ' CD ' HH21 ' A' ' 21' ' ' ARG . 15.3 tm0? -86.5 3.56 43.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.542 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.8 p80 40.38 38.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.619 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -139.67 -50.85 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.816 HH21 ' HG2' ' A' ' 15' ' ' GLN . 1.0 OUTLIER -91.9 -70.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 110.295 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.677 ' C ' HD12 ' A' ' 23' ' ' LEU . . . -84.46 -5.57 59.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.677 HD12 ' C ' ' A' ' 22' ' ' ALA . 2.0 mp . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 7' ' ' VAL . 1.0 OUTLIER -80.77 -0.17 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -107.03 44.4 1.49 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.713 HG22 ' N ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -121.45 -68.1 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.713 ' N ' HG22 ' A' ' 9' ' ' ILE . 1.5 mtmp? 35.09 -94.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.64 ' H ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -86.67 48.57 1.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.599 ' HB3' HG23 ' A' ' 9' ' ' ILE . 6.9 t -81.89 -52.38 7.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.29 -19.28 63.99 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 16' ' ' TYR . . . -87.75 -39.73 14.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.494 ' OE1' ' CA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -69.03 57.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.314 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.589 ' CD2' ' HG2' ' A' ' 17' ' ' GLN . 26.3 p90 -58.8 129.11 40.54 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.589 ' HG2' ' CD2' ' A' ' 16' ' ' TYR . 2.6 pt20 43.17 22.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.505 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -72.22 -0.12 11.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.332 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.559 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 1.5 p80 41.29 41.74 1.55 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 109.591 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.795 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -134.91 -56.25 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.795 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -88.71 -75.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 110.282 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.18 -9.78 58.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.735 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.1 m-20 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 m -39.34 124.61 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.48 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 106.83 23.18 7.24 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.735 HD12 ' O ' ' A' ' 6' ' ' ASP . 0.3 OUTLIER -102.91 -2.42 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.529 ' C ' HD13 ' A' ' 11' ' ' LEU . 3.7 mtmt -45.9 -24.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.582 1.176 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.886 ' H ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -143.83 48.77 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.241 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.46 ' OG ' ' CZ ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -62.42 -73.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.007 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.94 -22.12 1.11 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.487 1.117 . . . . 0.0 111.083 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.33 -59.81 2.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 0.753 . . . . 0.0 109.305 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 7.6 mm-40 -41.65 -33.08 0.43 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.766 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 3.6 p90 51.06 143.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.509 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.5 pt20 33.29 33.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.613 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -72.51 2.7 5.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 110.243 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 2.1 p80 43.96 37.42 1.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.585 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.69 -51.87 0.08 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.573 1.171 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 1.047 HH21 ' HB2' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -106.1 -56.1 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 0.728 . . . . 0.0 110.373 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.047 ' HB2' HH21 ' A' ' 21' ' ' ARG . . . -84.58 -6.86 59.4 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.257 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.431 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -101.58 0.01 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.454 ' O ' ' NE2' ' A' ' 15' ' ' GLN . . . -109.21 11.74 33.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 110.958 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.455 HG22 ' NZ ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -59.3 -28.94 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.761 . . . . 0.0 109.336 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.954 ' O ' HD13 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -40.51 -33.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.36 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.954 HD13 ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -131.27 49.46 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -72.2 -64.81 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.97 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.76 -18.13 16.55 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -89.24 -60.0 2.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.754 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 35.1 mt-30 -38.41 -41.9 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.754 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 1.5 p90 53.37 139.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.401 1.063 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.582 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 0.8 OUTLIER 28.82 38.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.616 ' CG ' ' HB3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -69.68 -1.91 10.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.342 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 1.1 p80 40.16 38.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.555 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.697 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -140.16 -50.54 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.697 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -92.74 -70.32 0.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 0.754 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.13 -5.09 58.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.3 m -91.95 122.61 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.444 ' O ' ' NE2' ' A' ' 15' ' ' GLN . . . 110.66 3.88 28.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.454 HD13 ' HB2' ' A' ' 12' ' ' SER . 0.2 OUTLIER -71.02 -16.52 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 0.761 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 1.027 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.68 -39.33 36.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.027 HD13 ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -122.97 47.03 2.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.454 ' HB2' HD13 ' A' ' 9' ' ' ILE . 1.1 t -59.86 -62.26 2.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.012 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.84 -16.25 38.18 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 11' ' ' LEU . . . -91.22 -63.03 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.626 0.839 . . . . 0.0 109.254 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.702 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -32.48 -56.25 0.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 110.265 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.741 ' CD1' ' O ' ' A' ' 16' ' ' TYR . 0.3 OUTLIER 54.49 127.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.945 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.581 ' HG2' ' CD1' ' A' ' 16' ' ' TYR . 1.5 pt20 31.32 38.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.35 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.621 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 6.6 tm0? -74.61 3.97 6.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.621 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 2.3 p80 44.57 42.8 5.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.545 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -125.28 -58.48 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -102.63 -74.4 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.434 0.726 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' A' ' 23' ' ' LEU . . . -64.82 -12.64 50.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 14.8 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -3.27 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.813 ' O ' HD22 ' A' ' 11' ' ' LEU . . . -106.63 1.88 36.56 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.493 1.121 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.4 -23.59 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.593 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -45.16 -29.52 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.835 ' H ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -140.83 50.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.578 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 1.5 t -65.75 -67.11 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.097 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.87 -13.6 3.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.441 1.088 . . . . 0.0 111.035 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.7 -43.7 7.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 0.746 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.692 ' O ' ' O ' ' A' ' 16' ' ' TYR . 1.2 pt20 -59.47 -49.12 79.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.239 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.692 ' O ' ' O ' ' A' ' 15' ' ' GLN . 1.1 p90 47.98 130.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.534 ' HG2' ' CD1' ' A' ' 16' ' ' TYR . 1.8 pt20 32.74 35.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.639 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 0.9 OUTLIER -77.2 5.68 7.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.279 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.639 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.6 p80 50.94 37.48 17.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.565 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.433 ' HA3' ' NH2' ' A' ' 21' ' ' ARG . . . -133.98 -52.23 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.517 ' HE ' ' N ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -110.17 -69.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 110.314 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -64.74 -14.68 59.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.082 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.621 ' C ' HD12 ' A' ' 23' ' ' LEU . 2.5 pp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 6' ' ' ASP . 1.1 p-10 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.577 ' O ' HG12 ' A' ' 7' ' ' VAL . 55.1 t -81.65 5.31 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.483 ' O ' ' CG ' ' A' ' 21' ' ' ARG . . . -108.29 43.45 1.7 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.518 ' CG2' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -124.96 1.6 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.764 . . . . 0.0 109.274 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.871 ' C ' HD22 ' A' ' 11' ' ' LEU . 2.7 mtmt -45.18 -29.82 1.03 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.871 HD22 ' C ' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -138.03 45.29 2.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.49 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.2 t -61.51 -69.08 0.26 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.44 -20.5 2.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' A' ' 11' ' ' LEU . . . -83.96 -55.82 4.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.757 . . . . 0.0 109.36 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.803 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 5.0 mm-40 -38.14 -30.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.803 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 5.6 p90 50.92 138.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.552 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER 29.62 36.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 110.305 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.578 ' N ' ' O ' ' A' ' 16' ' ' TYR . 28.4 tp60 -68.92 -2.11 8.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.456 1.097 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.564 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER 35.91 39.47 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 109.587 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.742 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -164.57 -41.48 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.742 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -88.16 -69.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.786 . . . . 0.0 110.35 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.79 -5.74 58.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.238 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.9 mt . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 -179.921 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.9 t -81.3 3.2 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.436 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . -106.06 23.36 29.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.472 1.107 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.496 HG13 ' CG ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -97.21 1.19 10.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.544 0.79 . . . . 0.0 109.24 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.592 ' HB2' HD13 ' A' ' 11' ' ' LEU . 2.4 mtmp? -45.9 -30.13 1.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.682 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -133.6 61.74 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.446 ' HB2' ' CB ' ' A' ' 21' ' ' ARG . 1.2 t -102.71 -66.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.53 -20.02 43.96 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.599 1.187 . . . . 0.0 110.998 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -83.45 -67.47 0.79 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.519 0.776 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.824 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -36.54 -41.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.824 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.1 p90 52.88 145.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.55 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 34.73 32.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.404 1.065 . . . . 0.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.815 ' CD ' HH21 ' A' ' 21' ' ' ARG . 8.2 tm0? -77.89 1.93 18.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 110.236 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.7 p80 36.01 41.19 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.432 1.083 . . . . 0.0 109.612 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.402 ' HA3' ' NE2' ' A' ' 18' ' ' GLN . . . -135.83 -54.05 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.815 HH21 ' CD ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -101.13 -73.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 110.217 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.79 -12.71 61.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.59 1.181 . . . . 0.0 109.353 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.8 m -91.52 121.82 42.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.432 ' O ' ' NE2' ' A' ' 15' ' ' GLN . . . 107.03 6.35 34.4 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.582 HD13 ' HB2' ' A' ' 12' ' ' SER . 0.0 OUTLIER -68.89 -17.88 22.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.517 0.774 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 1.018 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -42.73 -36.3 1.4 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.018 HD13 ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -122.18 43.77 2.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.267 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.582 ' HB2' HD13 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -61.17 -63.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.981 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.96 -13.5 4.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.44 1.087 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.34 -28.01 12.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.242 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.56 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 1.0 OUTLIER -85.24 30.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.532 ' CD2' ' O ' ' A' ' 16' ' ' TYR . 45.4 p90 -54.29 120.88 7.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 16' ' ' TYR . 0.7 OUTLIER 40.78 25.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 110.308 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.523 ' HB3' HH21 ' A' ' 21' ' ' ARG . 1.4 mm-40 -65.95 -6.93 14.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 1.1 p80 40.02 41.34 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.658 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.01 -56.69 0.08 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.487 1.117 . . . . 0.0 110.93 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.523 HH21 ' HB3' ' A' ' 18' ' ' GLN . 0.4 OUTLIER -87.75 -75.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.384 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.523 ' HB2' ' OE1' ' A' ' 15' ' ' GLN . . . -76.81 -8.47 57.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 19.0 m -71.79 127.11 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 109.33 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.528 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 102.61 32.37 4.84 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.536 ' CG2' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -114.62 3.42 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 109.342 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.962 ' HG2' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -47.01 -35.96 7.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.563 1.164 . . . . 0.0 109.318 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.962 HD13 ' HG2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -127.52 51.58 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -76.91 -63.36 1.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.35 -20.6 37.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.541 1.15 . . . . 0.0 110.978 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -79.9 -66.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.807 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 2.3 tp-100 -35.04 -40.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.807 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.2 p90 52.74 143.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 111.055 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.546 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 32.77 33.78 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 1.003 ' CG ' HH21 ' A' ' 21' ' ' ARG . 46.6 tp60 -74.21 -2.47 24.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 110.372 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.7 p80 35.83 39.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.599 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -154.04 -47.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.448 1.092 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 1.003 HH21 ' CG ' ' A' ' 18' ' ' GLN . 0.9 OUTLIER -92.62 -71.57 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 0.729 . . . . 0.0 110.289 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.29 -7.95 56.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.248 179.973 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.447 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 1.1 t -104.64 -2.34 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.32 37.12 3.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.447 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -114.73 -1.42 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.229 -179.974 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.442 ' CE ' ' O ' ' A' ' 7' ' ' VAL . 1.9 mtmp? -50.44 -21.94 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.614 HD12 ' OE1' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -131.99 47.2 2.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.952 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.6 -69.39 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.56 -23.53 1.39 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.514 1.133 . . . . 0.0 110.998 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -76.35 -61.83 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.774 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.684 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -36.07 -51.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.734 ' CD1' ' O ' ' A' ' 16' ' ' TYR . 0.5 OUTLIER 52.15 125.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 -179.948 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.559 ' HG2' ' CD1' ' A' ' 16' ' ' TYR . 1.9 pt20 32.82 34.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.603 1.189 . . . . 0.0 110.269 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.531 ' N ' ' O ' ' A' ' 16' ' ' TYR . 1.5 tp60 -84.67 3.66 36.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.367 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 1.4 p80 42.28 40.63 1.85 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.516 1.135 . . . . 0.0 109.605 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.465 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -130.48 -54.64 0.1 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.375 1.047 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.465 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -106.67 -72.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 110.251 -179.942 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.545 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . -65.37 -11.63 44.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.677 ' C ' HD12 ' A' ' 23' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.9 t70 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 7' ' ' VAL . 1.1 t -82.2 4.83 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.484 ' HA2' ' NZ ' ' A' ' 10' ' ' LYS . . . -120.69 51.55 0.77 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.633 HD13 ' CB ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -112.39 -20.91 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 0.774 . . . . 0.0 109.23 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.862 ' O ' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -42.12 -32.03 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.862 HD13 ' O ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -126.34 51.9 1.76 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.633 ' CB ' HD13 ' A' ' 9' ' ' ILE . 1.4 t -79.33 -63.31 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.969 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.9 -22.63 27.85 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.423 1.077 . . . . 0.0 111.077 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -81.4 -65.87 0.96 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.488 0.758 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.712 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 1.9 mp0 -35.62 -51.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.712 ' CD2' ' O ' ' A' ' 15' ' ' GLN . 0.6 OUTLIER 54.24 131.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.945 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.55 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.4 pt20 31.57 36.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.773 ' HG3' HH21 ' A' ' 21' ' ' ARG . 36.5 tp60 -77.6 1.13 20.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.636 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 2.8 p80 41.57 35.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.583 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -161.59 -42.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.773 HH21 ' HG3' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -75.89 -62.12 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 110.287 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -97.56 -4.51 37.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.613 ' C ' HD12 ' A' ' 23' ' ' LEU . 2.5 pp . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 7' ' ' VAL . 5.6 m-20 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 6' ' ' ASP . 6.1 m -38.86 127.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.461 ' HA2' ' HE2' ' A' ' 10' ' ' LYS . . . 107.07 30.93 4.01 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.599 ' CG2' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -127.0 9.0 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 0.726 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.535 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -35.29 -36.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.839 ' H ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -148.77 52.51 0.98 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.118 . . . . 0.0 109.348 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.518 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -61.56 -69.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.085 . . . . 0.0 109.997 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.65 -19.2 4.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.606 ' HB3' ' HB2' ' A' ' 11' ' ' LEU . . . -86.45 -52.39 5.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.804 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 2.5 mm-40 -40.16 -28.55 0.06 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.804 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 7.1 p90 50.61 136.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 111.03 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.538 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER 30.94 36.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.372 -179.932 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.54 ' N ' ' O ' ' A' ' 16' ' ' TYR . 20.1 tm0? -66.24 -4.47 7.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.551 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 1.0 OUTLIER 38.9 39.55 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.671 -179.93 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.609 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -165.52 -42.64 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.563 1.164 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.609 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -88.73 -69.73 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 0.741 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.68 -6.66 56.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.5 m -106.55 119.89 56.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.475 ' HA3' ' CG ' ' A' ' 21' ' ' ARG . . . 108.19 4.33 33.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.422 1.076 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.17 -6.03 5.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.771 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 1.003 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -57.05 -32.86 66.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.003 HD13 ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -122.39 42.75 3.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.919 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.522 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 1.2 t -64.55 -62.84 1.34 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 110.077 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.89 -14.19 3.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.52 -41.71 6.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 0.806 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.764 ' O ' ' O ' ' A' ' 16' ' ' TYR . 1.6 pt20 -63.86 -48.66 75.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.764 ' O ' ' O ' ' A' ' 15' ' ' GLN . 1.0 OUTLIER 40.95 121.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.383 1.052 . . . . 0.0 111.042 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.564 ' HG2' ' CD1' ' A' ' 16' ' ' TYR . 2.4 pt20 31.64 36.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.611 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -60.0 -7.6 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.611 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.9 p80 47.28 33.71 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.516 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -143.09 -45.61 0.05 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.475 ' CG ' ' HA3' ' A' ' 8' ' ' GLY . 1.0 OUTLIER -93.58 -66.43 0.92 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 0.768 . . . . 0.0 110.28 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.17 -4.17 56.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.9 t -75.45 133.92 30.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.511 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 98.6 34.5 5.24 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.105 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.652 ' CG2' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -122.94 12.36 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.781 ' CG ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -47.37 -22.14 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.781 HD13 ' CG ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -155.18 50.96 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 179.968 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.495 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.3 t -69.81 -73.89 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 0.0 109.975 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.92 -23.23 1.44 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.425 1.078 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.467 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -74.83 -66.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 0.797 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.827 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -33.88 -40.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.296 179.957 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.827 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.4 p90 52.55 146.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.542 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 33.79 32.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.976 ' CG ' HH21 ' A' ' 21' ' ' ARG . 41.1 tp60 -79.98 0.49 31.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER 32.39 40.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.631 179.965 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . -154.7 -47.27 0.02 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.976 HH21 ' CG ' ' A' ' 18' ' ' GLN . 1.1 mpp_? -88.36 -69.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.58 0.812 . . . . 0.0 110.294 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . -83.08 -4.74 58.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 3.4 t -80.0 2.76 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.73 45.43 1.3 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.755 HG22 ' N ' ' A' ' 10' ' ' LYS . 1.0 OUTLIER -126.03 -72.74 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.497 0.763 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.755 ' N ' HG22 ' A' ' 9' ' ' ILE . 1.7 mtmp? 38.85 -91.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.793 HD23 ' CG ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -92.72 43.53 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.581 ' HB3' HG23 ' A' ' 9' ' ' ILE . 2.1 t -65.81 -56.09 13.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 110.039 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.9 -13.48 47.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.04 -52.15 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.793 ' CG ' HD23 ' A' ' 11' ' ' LEU . 5.7 mm-40 -47.4 -34.22 6.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.357 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.755 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.8 p90 51.05 142.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.524 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 pt20 32.38 34.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.617 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 9.7 tt0 -73.46 3.45 6.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.7 p80 48.68 35.84 6.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 109.575 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -121.25 -55.22 0.23 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 1.058 HH21 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -113.6 -46.33 3.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 0.75 . . . . 0.0 110.304 -179.949 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.058 ' HB2' HH21 ' A' ' 21' ' ' ARG . . . -78.85 -22.3 46.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.41 HG23 ' H ' ' A' ' 7' ' ' VAL . 2.3 t -70.49 132.74 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 10' ' ' LYS . . . 88.14 -48.65 3.66 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.835 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER 36.67 31.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 109.254 -179.952 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.792 ' HB2' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -59.29 -55.54 33.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.949 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.792 HD13 ' HB2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -102.03 60.93 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.48 ' CB ' HG12 ' A' ' 9' ' ' ILE . 1.2 t -106.53 -58.1 1.97 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.608 1.192 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.08 -15.39 62.84 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -88.03 -63.45 1.3 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 0.759 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.777 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -34.86 -46.13 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.777 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 1.3 p90 53.38 144.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.626 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 0.1 OUTLIER 35.13 30.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.391 1.057 . . . . 0.0 110.251 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.636 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 45.0 tp60 -78.53 0.78 24.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 110.378 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.3 p80 34.78 38.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.566 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.53 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -148.17 -48.12 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.53 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -93.87 -70.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.68 -6.3 58.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.9 mp . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.984 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.9 m -97.2 120.74 46.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.444 ' O ' ' NH1' ' A' ' 21' ' ' ARG . . . 106.91 4.0 36.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.435 HG12 ' CG ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -54.82 -28.17 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.783 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.78 ' HG2' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -64.67 -12.29 44.71 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.78 HD23 ' HG2' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -146.14 48.12 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -85.42 -67.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.06 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.92 -21.66 1.72 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.65 -60.96 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.763 ' HG3' HD12 ' A' ' 11' ' ' LEU . 38.0 mt-30 -43.87 -32.98 1.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.223 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.759 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 3.5 p90 50.98 145.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 111.047 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.541 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 30.69 34.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.351 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.605 ' HB3' HH21 ' A' ' 21' ' ' ARG . 10.2 tm0? -75.03 1.04 13.98 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.404 1.065 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 0.9 OUTLIER 37.19 42.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.617 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.98 -53.36 0.1 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.389 1.055 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.689 HH22 ' NE2' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -103.92 -74.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.403 0.708 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.91 -13.08 61.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.223 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 26.5 t80 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.539 0.209 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.482 ' N ' ' ND2' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -40.83 137.83 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.593 ' HB1' HG21 ' A' ' 7' ' ' VAL . . . 57.77 60.94 6.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.487 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 18.3 Cg_endo -74.98 2.53 6.52 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.502 1.79 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -64.91 -135.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.441 1.088 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -73.95 -3.63 30.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.593 HG21 ' HB1' ' A' ' 3' ' ' ALA . 1.6 t -77.33 125.65 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.517 ' O ' HD22 ' A' ' 11' ' ' LEU . . . 108.82 8.75 27.6 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.427 1.079 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -77.93 -12.59 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 109.219 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.598 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -54.32 -18.85 4.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.873 HD23 HE22 ' A' ' 15' ' ' GLN . 0.0 OUTLIER -141.45 53.21 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.474 ' HA ' ' CB ' ' A' ' 21' ' ' ARG . 1.2 t -79.08 -69.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.068 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.17 -21.61 2.78 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -77.48 -61.34 2.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.566 0.804 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.873 HE22 HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -35.38 -44.2 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 110.274 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.724 ' CD2' ' O ' ' A' ' 15' ' ' GLN . 1.6 p90 49.41 122.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.57 ' HG2' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER 32.63 34.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.28 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.534 ' N ' ' O ' ' A' ' 16' ' ' TYR . 1.1 tp60 -83.31 2.97 33.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 0.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.563 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 1.2 p80 41.18 39.59 0.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.61 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.33 -53.58 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.606 HH21 ' HG2' ' A' ' 15' ' ' GLN . 0.2 OUTLIER -92.96 -72.0 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 110.359 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.33 -5.22 54.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 69.03 37.24 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.2 t80 . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.545 0.212 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -43.89 138.72 2.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.754 ' HB3' ' CD2' ' A' ' 5' ' ' PHE . . . -89.26 169.21 13.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.385 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.63 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 18.3 Cg_endo -74.97 3.81 5.27 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 0.0 111.069 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.754 ' CD2' ' HB3' ' A' ' 3' ' ' ALA . 16.0 m-85 -28.64 -90.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.551 ' O ' HD12 ' A' ' 9' ' ' ILE . 15.7 t70 -96.15 -37.96 10.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.513 ' CG2' ' HA ' ' A' ' 4' ' ' PRO . 10.0 m -43.97 124.96 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.483 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 104.06 27.54 6.2 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.551 HD12 ' O ' ' A' ' 6' ' ' ASP . 0.1 OUTLIER -104.14 -6.72 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 0.727 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 1.019 ' C ' HD13 ' A' ' 11' ' ' LEU . 4.4 mtmt -39.44 -37.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.368 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.019 HD13 ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -122.69 48.55 1.76 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' ILE . 1.4 t -77.38 -63.96 1.25 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.37 -18.32 9.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.66 -36.22 14.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 0.775 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.453 ' OE1' ' NE ' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -76.06 47.93 0.47 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.542 ' CD1' ' O ' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -55.87 133.37 51.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 111.067 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 16' ' ' TYR . 0.6 OUTLIER 42.44 21.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 16' ' ' TYR . 21.2 tp60 -76.32 2.79 12.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 110.214 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 1.2 p80 40.79 39.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.419 ' HA3' ' NH2' ' A' ' 21' ' ' ARG . . . -130.77 -54.39 0.09 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.528 1.143 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.525 ' N ' ' NE ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -101.15 -74.12 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 0.734 . . . . 0.0 110.342 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.599 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -70.35 -18.39 63.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.79 HD12 ' N ' ' A' ' 224' ' ' NH2 . 0.3 OUTLIER 90.64 -177.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . 0.79 ' N ' HD12 ' A' ' 23' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.523 0.201 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.544 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 0.7 OUTLIER -90.25 130.27 36.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.502 ' N ' ' HD3' ' A' ' 4' ' ' PRO . . . 41.57 60.33 8.65 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.502 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 18.1 Cg_endo -75.01 2.08 7.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -63.07 -132.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -75.55 -0.63 21.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.597 ' O ' HG12 ' A' ' 7' ' ' VAL . 36.6 t -84.46 7.44 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.454 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . -109.04 22.01 26.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.518 ' CG2' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -93.65 2.51 9.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.576 0.81 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.529 ' HB2' HD13 ' A' ' 11' ' ' LEU . 2.6 mtmp? -49.24 -23.98 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.818 ' H ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -136.36 57.14 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.427 ' HA ' ' CB ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -90.4 -67.95 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.035 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.88 -22.06 8.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.402 1.064 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -80.65 -66.67 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.741 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -37.25 -48.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.741 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 1.0 OUTLIER 53.95 135.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.163 . . . . 0.0 111.007 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.56 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 pt20 31.76 37.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.315 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.564 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 4.7 tm0? -85.79 3.08 43.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.438 1.087 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.564 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 2.2 p80 39.62 39.56 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.574 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.68 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -141.85 -51.31 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.68 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -84.86 -72.79 0.46 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 0.763 . . . . 0.0 110.26 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.34 -5.92 59.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 mp 64.0 -98.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.4 t80 . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 120.518 0.199 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.609 ' O ' ' CD1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -43.68 120.1 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.758 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . -41.67 -51.46 9.21 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.758 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 18.1 Cg_endo -75.01 80.69 2.38 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.441 1.758 . . . . 0.0 110.973 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.609 ' CD1' ' O ' ' A' ' 2' ' ' ASN . 6.6 m-85 -80.34 -137.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -19.55 24.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.424 1.078 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 6.2 t -82.06 3.51 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.99 38.21 3.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.48 ' CG2' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -117.66 0.34 8.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 0.748 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.805 ' C ' HD22 ' A' ' 11' ' ' LEU . 1.4 mtmp? -46.77 -29.02 1.72 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.805 HD22 ' C ' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -128.85 48.94 2.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.397 1.061 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.421 ' HA ' ' CB ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -77.91 -66.05 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 110.098 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.55 -20.8 4.12 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.451 1.094 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' TYR . . . -85.49 -41.45 15.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 0.805 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.457 ' HG3' ' CG ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -68.7 56.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.584 ' CD2' ' HG2' ' A' ' 17' ' ' GLN . 26.0 p90 -57.79 128.42 36.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.584 ' HG2' ' CD2' ' A' ' 16' ' ' TYR . 2.7 pt20 43.62 22.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.336 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.467 ' N ' ' C ' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -72.49 -0.26 12.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.243 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 1.3 p80 38.38 44.17 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.578 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.677 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -136.87 -57.76 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.677 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -81.29 -76.66 0.24 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 0.766 . . . . 0.0 110.339 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . -72.26 -9.73 58.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.709 ' O ' HD12 ' A' ' 23' ' ' LEU . 1.4 pp 37.4 80.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.448 ' O ' ' N ' ' A' ' 3' ' ' ALA . 63.7 t80 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.519 0.2 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.516 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 1.1 p30 -67.5 70.13 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.147 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.508 ' O ' HG22 ' A' ' 7' ' ' VAL . . . -164.99 59.72 0.68 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.532 ' HA ' ' CG2' ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.03 3.69 5.41 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.419 1.747 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.515 ' O ' ' C ' ' A' ' 6' ' ' ASP . 20.0 m-85 -58.62 -123.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.527 ' O ' HD12 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -30.75 -46.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.532 ' CG2' ' HA ' ' A' ' 4' ' ' PRO . 1.6 m -59.76 127.39 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.488 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 108.57 24.24 6.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.527 HD12 ' O ' ' A' ' 6' ' ' ASP . 0.2 OUTLIER -106.88 0.67 10.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.463 0.743 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.541 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -41.37 -28.62 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.827 ' H ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -142.78 56.01 1.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.498 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.2 t -77.23 -68.33 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.46 -18.19 9.8 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -82.67 -65.13 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.82 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 2.2 tp-100 -36.43 -37.89 0.14 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.406 1.066 . . . . 0.0 110.264 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.82 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.6 p90 52.72 144.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.543 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER 32.59 33.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.586 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 40.0 tp60 -73.62 -1.58 19.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 2.0 p80 36.72 38.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.59 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -156.66 -45.59 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.445 1.09 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.555 ' HE ' ' N ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -86.51 -70.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 0.718 . . . . 0.0 110.341 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.47 -6.68 59.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 57.21 61.5 2.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 64.7 t80 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.505 0.193 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.501 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 0.2 OUTLIER -44.35 140.42 2.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.351 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.494 ' N ' ' HD3' ' A' ' 4' ' ' PRO . . . 53.73 60.69 11.27 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.494 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 18.5 Cg_endo -74.99 1.53 7.63 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -67.23 -135.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 111.027 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -57.12 -18.04 13.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.242 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 2.9 t -78.04 -0.37 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.504 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . -100.3 48.24 1.21 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.566 1.166 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.6 ' CG2' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -135.04 9.48 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.444 0.732 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.839 ' CG ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -47.14 -24.26 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 109.233 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.839 HD13 ' CG ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -146.07 54.06 1.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.586 1.179 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.472 ' HB2' ' CG1' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -73.35 -69.39 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.95 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.76 -22.5 2.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.06 -42.16 21.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 0.762 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.481 ' HG3' ' CG ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -77.02 45.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.491 ' O ' ' N ' ' A' ' 18' ' ' GLN . 1.0 OUTLIER -51.52 133.23 30.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 16' ' ' TYR . 0.7 OUTLIER 41.39 23.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -77.27 3.59 12.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 1.1 p80 39.82 41.17 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.625 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.932 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -132.52 -56.97 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.423 1.077 . . . . 0.0 111.029 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.932 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -90.54 -76.02 0.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 0.753 . . . . 0.0 110.333 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.16 -8.26 55.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.377 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 71.19 41.18 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 25.9 t80 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.451 0.167 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.49 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 1.4 p30 -72.73 59.71 0.48 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.887 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . 176.98 -178.2 0.17 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.887 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 18.3 Cg_endo -74.99 4.16 4.98 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 110.968 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.825 ' CD2' ' HB3' ' A' ' 3' ' ' ALA . 47.4 m-85 -27.38 -89.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.132 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -99.43 -35.19 9.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.506 ' CG2' ' HA ' ' A' ' 4' ' ' PRO . 12.6 m -45.71 129.3 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.503 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 101.66 35.22 4.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.559 ' CG2' ' O ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -127.28 5.85 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.868 ' CG ' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -44.77 -24.68 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.868 HD13 ' CG ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -148.15 56.38 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.502 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 0.9 OUTLIER -74.22 -70.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.057 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.52 -19.11 5.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.569 1.168 . . . . 0.0 111.026 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -80.84 -65.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.82 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 6.1 tp-100 -36.23 -36.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.82 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.7 p90 52.48 144.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.042 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.536 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 33.06 33.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.579 1.175 . . . . 0.0 110.336 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.58 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 39.1 tp60 -73.95 -1.96 21.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 110.259 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.482 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.3 p80 34.99 39.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.574 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.681 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -156.74 -46.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.497 1.123 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.681 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -86.56 -69.68 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.6 0.824 . . . . 0.0 110.376 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.33 -5.11 59.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.3 mt 43.29 60.23 2.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.413 1.07 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.403 ' O ' ' CG ' ' A' ' 1' ' ' PHE . 10.6 t80 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.535 0.207 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.672 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -99.12 68.1 1.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.778 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . 163.56 -52.19 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.778 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 18.3 Cg_endo -74.97 3.88 5.21 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.53 1.805 . . . . 0.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.585 ' CZ ' ' HA ' ' A' ' 2' ' ' ASN . 46.4 m-85 -27.46 -88.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -99.72 -36.51 9.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.528 ' CG2' ' HA ' ' A' ' 4' ' ' PRO . 14.2 m -42.51 122.79 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 107.18 14.88 17.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.457 1.098 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.509 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -81.85 1.72 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.563 0.801 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 1.018 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -64.2 -35.75 81.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.018 HD13 ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -126.18 45.25 2.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -65.5 -64.27 0.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 109.996 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.14 -17.33 10.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -88.29 -58.56 2.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.337 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.752 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 34.8 mt-30 -38.81 -40.43 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.752 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 1.7 p90 52.72 140.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.57 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 0.8 OUTLIER 28.93 37.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.529 1.143 . . . . 0.0 110.348 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.598 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 16.3 tp60 -71.2 -0.82 10.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 1.1 p80 39.85 39.23 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.629 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.739 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -144.85 -49.7 0.03 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.739 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -93.48 -72.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 0.0 110.277 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . -76.32 -6.01 49.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 21' ' ' ARG . 0.6 OUTLIER 37.07 62.55 0.79 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 109.361 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.526 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 55.6 t80 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.53 0.205 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.561 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 0.2 OUTLIER -97.55 68.55 2.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.798 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . -75.57 -53.74 2.5 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.798 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 18.2 Cg_endo -75.1 -21.64 15.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.54 1.811 . . . . 0.0 110.973 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.548 ' CE1' ' O ' ' A' ' 2' ' ' ASN . 67.2 m-85 59.78 -80.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 4' ' ' PRO . 1.4 m-20 -172.25 32.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.51 ' O ' ' CG1' ' A' ' 7' ' ' VAL . 1.2 t -102.09 2.26 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.454 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . -105.52 24.53 27.12 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.511 ' CG2' ' O ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -99.04 3.5 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.42 0.717 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.986 ' C ' HD13 ' A' ' 11' ' ' LEU . 2.2 mtmp? -48.41 -32.45 7.66 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.986 HD13 ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -125.1 57.71 1.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.477 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.4 t -96.65 -64.07 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.024 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.75 -19.92 37.76 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -82.61 -66.28 0.91 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 0.772 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.812 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -35.22 -42.97 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.812 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 1.9 p90 52.94 143.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.553 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 pt20 33.88 33.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.078 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.954 ' CG ' HH21 ' A' ' 21' ' ' ARG . 48.2 tp60 -79.26 0.2 29.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 0.9 OUTLIER 33.47 40.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.627 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . -150.41 -48.91 0.02 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.954 HH21 ' CG ' ' A' ' 18' ' ' GLN . 1.0 OUTLIER -84.24 -71.6 0.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 0.75 . . . . 0.0 110.22 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . -84.16 -5.12 59.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.7 OUTLIER 36.18 -150.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.366 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.448 ' O ' ' N ' ' A' ' 3' ' ' ALA . 10.9 t80 . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.477 0.18 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.469 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 1.3 p30 -65.04 76.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.63 ' O ' HG22 ' A' ' 7' ' ' VAL . . . -154.66 56.82 1.55 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.554 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 18.4 Cg_endo -74.96 1.01 8.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.405 1.739 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 4' ' ' PRO . 19.1 m-85 -34.03 -82.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.798 ' O ' HD12 ' A' ' 9' ' ' ILE . 72.1 m-20 -92.57 -51.72 4.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 3' ' ' ALA . 5.9 m -39.47 126.02 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.504 ' O ' ' CG ' ' A' ' 21' ' ' ARG . . . 105.05 28.21 5.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.798 HD12 ' O ' ' A' ' 6' ' ' ASP . 0.3 OUTLIER -111.55 4.01 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.762 ' C ' HD13 ' A' ' 11' ' ' LEU . 5.2 mtmt -36.77 -36.35 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.857 ' H ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -144.16 48.6 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.483 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.4 t -61.33 -69.15 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.66 -20.48 2.76 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.09 -49.6 9.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.781 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.756 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 6.9 mm-40 -48.43 -35.47 12.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.756 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.5 p90 51.24 140.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.535 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 32.31 34.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.319 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.566 HE22 ' NH2' ' A' ' 21' ' ' ARG . 19.6 tm0? -69.63 -2.97 13.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 1.1 p80 39.63 39.14 0.48 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.574 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.758 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -165.52 -42.63 0.02 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.491 1.119 . . . . 0.0 111.068 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.758 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -89.22 -69.0 0.74 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 0.781 . . . . 0.0 110.293 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.05 -6.35 56.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.409 1.068 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt 50.24 65.29 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.41 ' O ' ' CD ' ' A' ' 4' ' ' PRO . 13.6 t80 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.524 0.202 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.66 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.2 OUTLIER -44.38 122.6 3.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.788 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . 164.45 -52.79 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.788 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 18.4 Cg_endo -75.0 79.44 2.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -48.5 -84.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.25 16.95 1.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 1.2 t -88.38 1.19 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -105.81 34.14 5.98 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.488 ' CG2' ' O ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -109.27 2.1 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.843 ' C ' HD22 ' A' ' 11' ' ' LEU . 1.7 mtmp? -51.22 -23.69 3.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.843 HD22 ' C ' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -130.39 50.76 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.26 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.95 -67.89 0.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 110.045 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.87 -21.8 2.54 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -79.95 -66.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 0.737 . . . . 0.0 109.357 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.816 ' HG2' HH21 ' A' ' 21' ' ' ARG . 0.1 OUTLIER -37.57 -50.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.703 ' CD1' ' O ' ' A' ' 16' ' ' TYR . 0.7 OUTLIER 53.54 132.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 0.0 110.962 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.54 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 pt20 30.98 37.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.257 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.567 ' CD ' HH21 ' A' ' 21' ' ' ARG . 15.3 tm0? -86.5 3.56 43.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.542 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.8 p80 40.38 38.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.619 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -139.67 -50.85 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.816 HH21 ' HG2' ' A' ' 15' ' ' GLN . 1.0 OUTLIER -91.9 -70.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 110.295 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.677 ' C ' HD12 ' A' ' 23' ' ' LEU . . . -84.46 -5.57 59.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.677 HD12 ' C ' ' A' ' 22' ' ' ALA . 2.0 mp 74.11 170.23 0.3 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.1 t80 . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.573 0.225 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.494 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 0.9 OUTLIER -71.55 -175.03 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.958 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . -52.88 -173.32 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.958 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 18.4 Cg_endo -75.03 3.62 5.47 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.796 ' CE1' ' HB3' ' A' ' 3' ' ' ALA . 16.3 m-85 -25.75 -86.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.404 ' H ' ' HB2' ' A' ' 5' ' ' PHE . 15.3 m-20 -141.63 13.76 2.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 7' ' ' VAL . 1.0 OUTLIER -80.77 -0.17 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -107.03 44.4 1.49 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.713 HG22 ' N ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -121.45 -68.1 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.713 ' N ' HG22 ' A' ' 9' ' ' ILE . 1.5 mtmp? 35.09 -94.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.64 ' H ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -86.67 48.57 1.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.599 ' HB3' HG23 ' A' ' 9' ' ' ILE . 6.9 t -81.89 -52.38 7.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.29 -19.28 63.99 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 16' ' ' TYR . . . -87.75 -39.73 14.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.494 ' OE1' ' CA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -69.03 57.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.314 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.589 ' CD2' ' HG2' ' A' ' 17' ' ' GLN . 26.3 p90 -58.8 129.11 40.54 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.589 ' HG2' ' CD2' ' A' ' 16' ' ' TYR . 2.6 pt20 43.17 22.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.505 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -72.22 -0.12 11.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.332 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.559 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 1.5 p80 41.29 41.74 1.55 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 109.591 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.795 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -134.91 -56.25 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.795 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -88.71 -75.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 110.282 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.18 -9.78 58.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 65.31 -99.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 45.7 t80 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.472 0.177 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.582 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -102.0 45.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 109.267 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.62 ' O ' HG22 ' A' ' 7' ' ' VAL . . . -150.0 56.27 2.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.564 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 18.7 Cg_endo -74.93 1.06 8.11 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 4' ' ' PRO . 26.7 m-85 -34.04 -82.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.735 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.1 m-20 -93.91 -50.81 5.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.62 HG22 ' O ' ' A' ' 3' ' ' ALA . 5.2 m -39.34 124.61 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.48 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 106.83 23.18 7.24 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.735 HD12 ' O ' ' A' ' 6' ' ' ASP . 0.3 OUTLIER -102.91 -2.42 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.529 ' C ' HD13 ' A' ' 11' ' ' LEU . 3.7 mtmt -45.9 -24.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.582 1.176 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.886 ' H ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -143.83 48.77 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.241 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.46 ' OG ' ' CZ ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -62.42 -73.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.007 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.94 -22.12 1.11 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.487 1.117 . . . . 0.0 111.083 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.33 -59.81 2.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 0.753 . . . . 0.0 109.305 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.766 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 7.6 mm-40 -41.65 -33.08 0.43 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.766 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 3.6 p90 51.06 143.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.509 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.5 pt20 33.29 33.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.613 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -72.51 2.7 5.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 110.243 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 2.1 p80 43.96 37.42 1.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.585 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.69 -51.87 0.08 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.573 1.171 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 1.047 HH21 ' HB2' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -106.1 -56.1 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 0.728 . . . . 0.0 110.373 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.047 ' HB2' HH21 ' A' ' 21' ' ' ARG . . . -84.58 -6.86 59.4 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 67.93 162.38 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.257 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.2 t80 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.523 0.201 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.711 ' HA ' HG21 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -40.77 125.96 2.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.913 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . -168.4 -178.17 0.58 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.913 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 18.2 Cg_endo -75.05 1.82 7.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.551 ' CD2' ' HB3' ' A' ' 3' ' ' ALA . 0.9 OUTLIER -72.95 -137.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.057 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -81.84 54.01 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.711 HG21 ' HA ' ' A' ' 2' ' ' ASN . 0.4 OUTLIER -101.58 0.01 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.454 ' O ' ' NE2' ' A' ' 15' ' ' GLN . . . -109.21 11.74 33.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 110.958 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.455 HG22 ' NZ ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -59.3 -28.94 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.761 . . . . 0.0 109.336 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.954 ' O ' HD13 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -40.51 -33.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.36 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.954 HD13 ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -131.27 49.46 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -72.2 -64.81 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.97 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.76 -18.13 16.55 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -89.24 -60.0 2.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.754 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 35.1 mt-30 -38.41 -41.9 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.754 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 1.5 p90 53.37 139.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.401 1.063 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.582 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 0.8 OUTLIER 28.82 38.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.616 ' CG ' ' HB3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -69.68 -1.91 10.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.342 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 1.1 p80 40.16 38.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.555 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.697 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -140.16 -50.54 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.697 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -92.74 -70.32 0.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 0.754 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.13 -5.09 58.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mp 68.64 174.53 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.547 ' H2 ' ' HE2' ' A' ' 5' ' ' PHE . 38.8 t80 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.505 0.193 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.602 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -100.77 46.19 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.229 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.542 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . 173.81 166.2 0.31 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.738 ' HA ' HG22 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.95 -32.84 5.13 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.508 1.794 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.547 ' HE2' ' H2 ' ' A' ' 1' ' ' PHE . 58.1 m-85 58.21 -77.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 4' ' ' PRO . 1.0 OUTLIER -140.37 14.55 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.269 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.738 HG22 ' HA ' ' A' ' 4' ' ' PRO . 4.3 m -91.95 122.61 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.444 ' O ' ' NE2' ' A' ' 15' ' ' GLN . . . 110.66 3.88 28.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.454 HD13 ' HB2' ' A' ' 12' ' ' SER . 0.2 OUTLIER -71.02 -16.52 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 0.761 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 1.027 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.68 -39.33 36.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.027 HD13 ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -122.97 47.03 2.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.454 ' HB2' HD13 ' A' ' 9' ' ' ILE . 1.1 t -59.86 -62.26 2.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.012 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.84 -16.25 38.18 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 11' ' ' LEU . . . -91.22 -63.03 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.626 0.839 . . . . 0.0 109.254 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.702 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -32.48 -56.25 0.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 110.265 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.741 ' CD1' ' O ' ' A' ' 16' ' ' TYR . 0.3 OUTLIER 54.49 127.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.945 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.581 ' HG2' ' CD1' ' A' ' 16' ' ' TYR . 1.5 pt20 31.32 38.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.35 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.621 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 6.6 tm0? -74.61 3.97 6.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.621 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 2.3 p80 44.57 42.8 5.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.545 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -125.28 -58.48 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -102.63 -74.4 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.434 0.726 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' A' ' 23' ' ' LEU . . . -64.82 -12.64 50.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 14.8 mt 68.04 41.42 2.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 3' ' ' ALA . 4.0 t80 . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.473 0.178 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.427 ' ND2' ' N ' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -40.96 97.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.594 ' O ' HG21 ' A' ' 7' ' ' VAL . . . -137.7 60.42 24.85 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 109.349 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.501 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 18.2 Cg_endo -75.05 1.14 8.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.494 1.786 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.626 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.7 m-85 -68.33 -134.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.68 71.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -117.12 -3.27 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.813 ' O ' HD22 ' A' ' 11' ' ' LEU . . . -106.63 1.88 36.56 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.493 1.121 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.4 -23.59 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.593 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -45.16 -29.52 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.835 ' H ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -140.83 50.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.578 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 1.5 t -65.75 -67.11 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.097 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.87 -13.6 3.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.441 1.088 . . . . 0.0 111.035 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.7 -43.7 7.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 0.746 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.692 ' O ' ' O ' ' A' ' 16' ' ' TYR . 1.2 pt20 -59.47 -49.12 79.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.239 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.692 ' O ' ' O ' ' A' ' 15' ' ' GLN . 1.1 p90 47.98 130.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.534 ' HG2' ' CD1' ' A' ' 16' ' ' TYR . 1.8 pt20 32.74 35.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.639 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 0.9 OUTLIER -77.2 5.68 7.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.279 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.639 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.6 p80 50.94 37.48 17.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.565 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.433 ' HA3' ' NH2' ' A' ' 21' ' ' ARG . . . -133.98 -52.23 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.517 ' HE ' ' N ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -110.17 -69.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 110.314 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -64.74 -14.68 59.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.082 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.621 ' C ' HD12 ' A' ' 23' ' ' LEU . 2.5 pp 43.82 -166.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . 0.512 ' N ' HD12 ' A' ' 23' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.583 1.177 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.9 t80 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.501 0.191 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.414 ' C ' ' HD3' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -43.49 155.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.409 ' HA ' ' CE2' ' A' ' 5' ' ' PHE . . . -130.76 66.4 78.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.414 ' HD3' ' C ' ' A' ' 2' ' ' ASN . 18.2 Cg_endo -74.99 4.4 4.76 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.409 ' CE2' ' HA ' ' A' ' 3' ' ' ALA . 2.5 m-85 -64.88 -138.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 6' ' ' ASP . 1.1 p-10 -54.82 -19.34 6.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.241 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.577 ' O ' HG12 ' A' ' 7' ' ' VAL . 55.1 t -81.65 5.31 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.483 ' O ' ' CG ' ' A' ' 21' ' ' ARG . . . -108.29 43.45 1.7 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.518 ' CG2' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -124.96 1.6 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.764 . . . . 0.0 109.274 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.871 ' C ' HD22 ' A' ' 11' ' ' LEU . 2.7 mtmt -45.18 -29.82 1.03 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.871 HD22 ' C ' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -138.03 45.29 2.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.49 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.2 t -61.51 -69.08 0.26 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.44 -20.5 2.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' A' ' 11' ' ' LEU . . . -83.96 -55.82 4.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.757 . . . . 0.0 109.36 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.803 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 5.0 mm-40 -38.14 -30.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.803 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 5.6 p90 50.92 138.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.552 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER 29.62 36.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 110.305 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.578 ' N ' ' O ' ' A' ' 16' ' ' TYR . 28.4 tp60 -68.92 -2.11 8.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.456 1.097 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.564 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER 35.91 39.47 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 109.587 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.742 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -164.57 -41.48 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.742 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -88.16 -69.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.786 . . . . 0.0 110.35 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.79 -5.74 58.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.238 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.9 mt 48.46 56.25 7.78 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 73.1 t80 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.516 0.198 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.595 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -99.54 44.98 1.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.425 1.078 . . . . 0.0 109.296 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 1.064 ' HB3' ' CZ ' ' A' ' 5' ' ' PHE . . . 177.95 151.64 0.43 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 5' ' ' PHE . 18.4 Cg_endo -75.0 57.24 4.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 1.064 ' CZ ' ' HB3' ' A' ' 3' ' ' ALA . 24.6 m-85 -60.38 -131.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -95.61 12.5 29.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.455 HG23 ' HB2' ' A' ' 5' ' ' PHE . 1.9 t -81.3 3.2 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.436 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . -106.06 23.36 29.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.472 1.107 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.496 HG13 ' CG ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -97.21 1.19 10.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.544 0.79 . . . . 0.0 109.24 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.592 ' HB2' HD13 ' A' ' 11' ' ' LEU . 2.4 mtmp? -45.9 -30.13 1.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.682 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -133.6 61.74 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.446 ' HB2' ' CB ' ' A' ' 21' ' ' ARG . 1.2 t -102.71 -66.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.53 -20.02 43.96 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.599 1.187 . . . . 0.0 110.998 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -83.45 -67.47 0.79 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.519 0.776 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.824 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -36.54 -41.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.824 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.1 p90 52.88 145.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.55 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 34.73 32.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.404 1.065 . . . . 0.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.815 ' CD ' HH21 ' A' ' 21' ' ' ARG . 8.2 tm0? -77.89 1.93 18.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 110.236 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.7 p80 36.01 41.19 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.432 1.083 . . . . 0.0 109.612 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.402 ' HA3' ' NE2' ' A' ' 18' ' ' GLN . . . -135.83 -54.05 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.815 HH21 ' CD ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -101.13 -73.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 110.217 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.79 -12.71 61.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.59 1.181 . . . . 0.0 109.353 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 72.52 166.86 0.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 3' ' ' ALA . 28.3 t80 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.556 0.217 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.593 ' HB2' ' CD1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -49.76 91.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.26 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.962 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . -85.14 -58.86 0.34 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.18 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.962 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 18.3 Cg_endo -75.05 78.82 2.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.593 ' CD1' ' HB2' ' A' ' 2' ' ' ASN . 38.8 m-85 -147.72 -88.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 111.061 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -92.84 28.78 1.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.594 1.184 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 3' ' ' ALA . 16.8 m -91.52 121.82 42.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.432 ' O ' ' NE2' ' A' ' 15' ' ' GLN . . . 107.03 6.35 34.4 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.582 HD13 ' HB2' ' A' ' 12' ' ' SER . 0.0 OUTLIER -68.89 -17.88 22.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.517 0.774 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 1.018 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -42.73 -36.3 1.4 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.018 HD13 ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -122.18 43.77 2.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.267 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.582 ' HB2' HD13 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -61.17 -63.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.981 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.96 -13.5 4.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.44 1.087 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.34 -28.01 12.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.242 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.56 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 1.0 OUTLIER -85.24 30.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.532 ' CD2' ' O ' ' A' ' 16' ' ' TYR . 45.4 p90 -54.29 120.88 7.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 16' ' ' TYR . 0.7 OUTLIER 40.78 25.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 110.308 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.523 ' HB3' HH21 ' A' ' 21' ' ' ARG . 1.4 mm-40 -65.95 -6.93 14.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 1.1 p80 40.02 41.34 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.658 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.01 -56.69 0.08 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.487 1.117 . . . . 0.0 110.93 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.523 HH21 ' HB3' ' A' ' 18' ' ' GLN . 0.4 OUTLIER -87.75 -75.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.384 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.523 ' HB2' ' OE1' ' A' ' 15' ' ' GLN . . . -76.81 -8.47 57.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 75.15 38.84 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 8.9 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.505 0.193 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.604 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -100.68 121.39 41.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.788 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . -47.03 -52.58 32.86 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.402 1.063 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.788 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 18.3 Cg_endo -74.96 79.8 2.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.483 1.78 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -81.38 -88.36 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.948 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.69 -6.29 40.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.588 ' CG2' ' HA ' ' A' ' 4' ' ' PRO . 19.0 m -71.79 127.11 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.528 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 102.61 32.37 4.84 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.536 ' CG2' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -114.62 3.42 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 109.342 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.962 ' HG2' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -47.01 -35.96 7.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.563 1.164 . . . . 0.0 109.318 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.962 HD13 ' HG2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -127.52 51.58 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -76.91 -63.36 1.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.35 -20.6 37.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.541 1.15 . . . . 0.0 110.978 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -79.9 -66.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.807 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 2.3 tp-100 -35.04 -40.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.807 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.2 p90 52.74 143.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 111.055 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.546 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 32.77 33.78 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 1.003 ' CG ' HH21 ' A' ' 21' ' ' ARG . 46.6 tp60 -74.21 -2.47 24.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 110.372 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.7 p80 35.83 39.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.599 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -154.04 -47.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.448 1.092 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 1.003 HH21 ' CG ' ' A' ' 18' ' ' GLN . 0.9 OUTLIER -92.62 -71.57 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 0.729 . . . . 0.0 110.289 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.29 -7.95 56.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mt 56.6 46.5 20.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.248 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.429 1.08 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 16.9 t80 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.499 0.19 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.553 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 0.2 OUTLIER -97.95 167.51 10.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.962 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -50.09 154.06 2.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 6' ' ' ASP . 18.3 Cg_endo -75.05 -21.32 15.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 110.982 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 60.21 -79.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.988 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 4' ' ' PRO . 1.2 m-20 -174.81 33.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.447 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 1.1 t -104.64 -2.34 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.32 37.12 3.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.447 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -114.73 -1.42 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.229 -179.974 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.442 ' CE ' ' O ' ' A' ' 7' ' ' VAL . 1.9 mtmp? -50.44 -21.94 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.614 HD12 ' OE1' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -131.99 47.2 2.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.952 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.6 -69.39 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.56 -23.53 1.39 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.514 1.133 . . . . 0.0 110.998 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -76.35 -61.83 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.774 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.684 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -36.07 -51.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.734 ' CD1' ' O ' ' A' ' 16' ' ' TYR . 0.5 OUTLIER 52.15 125.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 -179.948 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.559 ' HG2' ' CD1' ' A' ' 16' ' ' TYR . 1.9 pt20 32.82 34.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.603 1.189 . . . . 0.0 110.269 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.531 ' N ' ' O ' ' A' ' 16' ' ' TYR . 1.5 tp60 -84.67 3.66 36.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.367 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 1.4 p80 42.28 40.63 1.85 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.516 1.135 . . . . 0.0 109.605 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.465 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -130.48 -54.64 0.1 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.375 1.047 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.465 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -106.67 -72.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 110.251 -179.942 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.545 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . -65.37 -11.63 44.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.733 HD12 ' N ' ' A' ' 224' ' ' NH2 . 0.9 OUTLIER -28.13 -47.14 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 -179.961 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . 0.733 ' N ' HD12 ' A' ' 23' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.102 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.401 ' O ' ' O ' ' A' ' 2' ' ' ASN . 13.0 t80 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.471 0.176 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 1' ' ' PHE . 0.2 OUTLIER -51.13 -178.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.933 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.721 ' HB1' ' CE1' ' A' ' 5' ' ' PHE . . . -120.17 162.24 34.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.461 ' O ' ' C ' ' A' ' 5' ' ' PHE . 18.4 Cg_endo -74.97 -0.44 9.96 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.791 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.721 ' CE1' ' HB1' ' A' ' 3' ' ' ALA . 9.2 m-30 -32.57 -86.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -142.54 15.2 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 7' ' ' VAL . 1.1 t -82.2 4.83 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.484 ' HA2' ' NZ ' ' A' ' 10' ' ' LYS . . . -120.69 51.55 0.77 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.633 HD13 ' CB ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -112.39 -20.91 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 0.774 . . . . 0.0 109.23 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.862 ' O ' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -42.12 -32.03 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.862 HD13 ' O ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -126.34 51.9 1.76 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.633 ' CB ' HD13 ' A' ' 9' ' ' ILE . 1.4 t -79.33 -63.31 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.969 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.9 -22.63 27.85 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.423 1.077 . . . . 0.0 111.077 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -81.4 -65.87 0.96 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.488 0.758 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.712 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 1.9 mp0 -35.62 -51.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.712 ' CD2' ' O ' ' A' ' 15' ' ' GLN . 0.6 OUTLIER 54.24 131.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.945 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.55 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.4 pt20 31.57 36.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.773 ' HG3' HH21 ' A' ' 21' ' ' ARG . 36.5 tp60 -77.6 1.13 20.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.636 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 2.8 p80 41.57 35.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.583 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -161.59 -42.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.773 HH21 ' HG3' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -75.89 -62.12 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 110.287 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -97.56 -4.51 37.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.613 ' C ' HD12 ' A' ' 23' ' ' LEU . 2.5 pp 43.48 -166.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . 0.52 ' N ' HD12 ' A' ' 23' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.501 0.191 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.577 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 0.2 OUTLIER -97.13 50.92 1.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.407 1.067 . . . . 0.0 109.307 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.609 ' O ' HG22 ' A' ' 7' ' ' VAL . . . -148.47 56.5 2.6 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.573 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 18.3 Cg_endo -74.95 0.9 8.32 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.453 ' C ' ' O ' ' A' ' 4' ' ' PRO . 49.6 m-85 -33.82 -82.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 7' ' ' VAL . 5.6 m-20 -92.99 -51.49 5.03 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 3' ' ' ALA . 6.1 m -38.86 127.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.461 ' HA2' ' HE2' ' A' ' 10' ' ' LYS . . . 107.07 30.93 4.01 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.599 ' CG2' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -127.0 9.0 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 0.726 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.535 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -35.29 -36.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.839 ' H ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -148.77 52.51 0.98 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.118 . . . . 0.0 109.348 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.518 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -61.56 -69.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.085 . . . . 0.0 109.997 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.65 -19.2 4.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.606 ' HB3' ' HB2' ' A' ' 11' ' ' LEU . . . -86.45 -52.39 5.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.804 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 2.5 mm-40 -40.16 -28.55 0.06 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.804 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 7.1 p90 50.61 136.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 111.03 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.538 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER 30.94 36.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.372 -179.932 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.54 ' N ' ' O ' ' A' ' 16' ' ' TYR . 20.1 tm0? -66.24 -4.47 7.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.551 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 1.0 OUTLIER 38.9 39.55 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.671 -179.93 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.609 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -165.52 -42.64 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.563 1.164 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.609 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -88.73 -69.73 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 0.741 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.68 -6.66 56.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.57 168.42 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.6 t80 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.544 0.211 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.459 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 0.9 OUTLIER -58.09 108.88 0.65 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.113 . . . . 0.0 109.248 -179.963 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.823 ' HB3' ' CD2' ' A' ' 5' ' ' PHE . . . -104.57 161.74 21.91 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.53 ' HA ' ' CG2' ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.98 2.35 6.71 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.43 1.753 . . . . 0.0 111.015 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.823 ' CD2' ' HB3' ' A' ' 3' ' ' ALA . 16.2 m-85 -30.11 -89.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -128.22 50.29 2.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.53 ' CG2' ' HA ' ' A' ' 4' ' ' PRO . 2.5 m -106.55 119.89 56.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.475 ' HA3' ' CG ' ' A' ' 21' ' ' ARG . . . 108.19 4.33 33.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.422 1.076 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.17 -6.03 5.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.771 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 1.003 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -57.05 -32.86 66.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.003 HD13 ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -122.39 42.75 3.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.919 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.522 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 1.2 t -64.55 -62.84 1.34 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 110.077 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.89 -14.19 3.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.52 -41.71 6.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 0.806 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.764 ' O ' ' O ' ' A' ' 16' ' ' TYR . 1.6 pt20 -63.86 -48.66 75.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.764 ' O ' ' O ' ' A' ' 15' ' ' GLN . 1.0 OUTLIER 40.95 121.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.383 1.052 . . . . 0.0 111.042 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.564 ' HG2' ' CD1' ' A' ' 16' ' ' TYR . 2.4 pt20 31.64 36.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.611 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -60.0 -7.6 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.611 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.9 p80 47.28 33.71 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.516 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -143.09 -45.61 0.05 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.475 ' CG ' ' HA3' ' A' ' 8' ' ' GLY . 1.0 OUTLIER -93.58 -66.43 0.92 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 0.768 . . . . 0.0 110.28 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.17 -4.17 56.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 74.65 169.63 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.5 t80 . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.49 0.186 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.675 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -97.56 81.71 2.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.798 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . 164.74 -53.38 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.798 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 18.2 Cg_endo -74.98 80.24 2.47 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.58 1.831 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.551 ' CZ ' ' HA ' ' A' ' 3' ' ' ALA . 6.7 m-85 -92.17 -138.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.76 -13.44 62.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.9 t -75.45 133.92 30.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.511 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 98.6 34.5 5.24 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.105 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.652 ' CG2' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -122.94 12.36 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.781 ' CG ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -47.37 -22.14 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.781 HD13 ' CG ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -155.18 50.96 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 179.968 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.495 ' CB ' ' HB3' ' A' ' 21' ' ' ARG . 1.3 t -69.81 -73.89 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 0.0 109.975 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.92 -23.23 1.44 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.425 1.078 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.467 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -74.83 -66.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 0.797 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.827 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -33.88 -40.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.296 179.957 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.827 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.4 p90 52.55 146.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.542 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 33.79 32.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.976 ' CG ' HH21 ' A' ' 21' ' ' ARG . 41.1 tp60 -79.98 0.49 31.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER 32.39 40.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.631 179.965 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . -154.7 -47.27 0.02 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.976 HH21 ' CG ' ' A' ' 18' ' ' GLN . 1.1 mpp_? -88.36 -69.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.58 0.812 . . . . 0.0 110.294 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . -83.08 -4.74 58.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER 37.28 59.78 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 3' ' ' ALA . 7.3 t80 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.523 0.201 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.472 ' N ' ' ND2' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -40.53 97.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.464 ' N ' ' HD3' ' A' ' 4' ' ' PRO . . . -176.01 61.59 0.21 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 3' ' ' ALA . 18.2 Cg_endo -74.98 1.36 7.82 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.563 1.823 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -67.64 -135.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.406 1.066 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -54.97 -18.81 5.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 3.4 t -80.0 2.76 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.73 45.43 1.3 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.755 HG22 ' N ' ' A' ' 10' ' ' LYS . 1.0 OUTLIER -126.03 -72.74 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.497 0.763 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.755 ' N ' HG22 ' A' ' 9' ' ' ILE . 1.7 mtmp? 38.85 -91.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.793 HD23 ' CG ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -92.72 43.53 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.581 ' HB3' HG23 ' A' ' 9' ' ' ILE . 2.1 t -65.81 -56.09 13.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 110.039 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.9 -13.48 47.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.04 -52.15 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.793 ' CG ' HD23 ' A' ' 11' ' ' LEU . 5.7 mm-40 -47.4 -34.22 6.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.357 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.755 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 2.8 p90 51.05 142.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.524 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 pt20 32.38 34.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.617 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 9.7 tt0 -73.46 3.45 6.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.7 p80 48.68 35.84 6.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 109.575 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -121.25 -55.22 0.23 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 1.058 HH21 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -113.6 -46.33 3.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 0.75 . . . . 0.0 110.304 -179.949 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.058 ' HB2' HH21 ' A' ' 21' ' ' ARG . . . -78.85 -22.3 46.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 72.58 -61.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.0 t80 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.484 0.183 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.742 ' HA ' HG11 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -43.22 131.86 4.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 -179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.884 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . -173.27 -179.02 0.43 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.085 . . . . 0.0 109.337 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.884 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 18.2 Cg_endo -74.93 2.51 6.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.732 ' CD2' ' HB3' ' A' ' 3' ' ' ALA . 1.1 m-30 -67.45 -137.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 111.047 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -70.28 -10.73 59.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.742 HG11 ' HA ' ' A' ' 2' ' ' ASN . 2.3 t -70.49 132.74 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 10' ' ' LYS . . . 88.14 -48.65 3.66 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.835 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER 36.67 31.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 109.254 -179.952 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.792 ' HB2' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -59.29 -55.54 33.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.949 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.792 HD13 ' HB2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -102.03 60.93 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.48 ' CB ' HG12 ' A' ' 9' ' ' ILE . 1.2 t -106.53 -58.1 1.97 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.608 1.192 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.08 -15.39 62.84 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 15' ' ' GLN . . . -88.03 -63.45 1.3 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 0.759 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.777 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -34.86 -46.13 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.777 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 1.3 p90 53.38 144.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.626 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 0.1 OUTLIER 35.13 30.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.391 1.057 . . . . 0.0 110.251 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.636 ' HB2' ' HB3' ' A' ' 15' ' ' GLN . 45.0 tp60 -78.53 0.78 24.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 110.378 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 1.3 p80 34.78 38.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.566 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.53 ' HA3' HH21 ' A' ' 21' ' ' ARG . . . -148.17 -48.12 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.53 HH21 ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -93.87 -70.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.68 -6.3 58.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.9 mp 48.6 63.71 1.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.429 1.081 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 3' ' ' ALA . 11.3 t80 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.551 0.215 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.55 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -44.43 96.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.082 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.557 ' N ' ' HD3' ' A' ' 4' ' ' PRO . . . -168.05 57.28 0.36 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.719 ' HA ' HG22 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.97 1.99 7.12 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 111.031 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' A' ' 4' ' ' PRO . 22.9 m-85 -33.02 -81.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.131 . . . . 0.0 111.08 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -132.87 43.09 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.404 1.065 . . . . 0.0 109.355 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.719 HG22 ' HA ' ' A' ' 4' ' ' PRO . 20.9 m -97.2 120.74 46.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.444 ' O ' ' NH1' ' A' ' 21' ' ' ARG . . . 106.91 4.0 36.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.435 HG12 ' CG ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -54.82 -28.17 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.783 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.78 ' HG2' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -64.67 -12.29 44.71 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.78 HD23 ' HG2' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -146.14 48.12 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -85.42 -67.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.06 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.92 -21.66 1.72 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.65 -60.96 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.763 ' HG3' HD12 ' A' ' 11' ' ' LEU . 38.0 mt-30 -43.87 -32.98 1.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.223 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.759 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 3.5 p90 50.98 145.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 111.047 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.541 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.1 pt20 30.69 34.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.351 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.605 ' HB3' HH21 ' A' ' 21' ' ' ARG . 10.2 tm0? -75.03 1.04 13.98 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.404 1.065 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 0.9 OUTLIER 37.19 42.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.617 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.98 -53.36 0.1 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.389 1.055 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.689 HH22 ' NE2' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -103.92 -74.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.403 0.708 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.91 -13.08 61.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.223 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 76.36 50.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 224' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_