data_1rsx_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 1rsx _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 ' 1' ' ' ASP . . . . . 0.511 ' OD2' ' CA ' ' A' ' 4' ' ' GLY . 24.1 t0 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -88.19 59.73 5.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.238 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -175.06 -39.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.511 ' CA ' ' OD2' ' A' ' 1' ' ' ASP . . . 101.92 20.76 12.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.105 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.45 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 1.1 m-20 -100.19 15.42 27.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.753 . . . . 0.0 109.338 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.89 -50.76 3.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.415 1.072 . . . . 0.0 110.957 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -44.07 160.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 0.715 . . . . 0.0 110.271 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 10' ' ' PHE . 59.2 t -78.43 55.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -61.62 76.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.969 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.506 ' N ' ' O ' ' A' ' 8' ' ' VAL . 4.6 m-85 59.97 13.09 3.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.039 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.503 ' O ' ' CG1' ' A' ' 8' ' ' VAL . 73.6 mm-40 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.252 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 4' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 9' ' ' SER . 24.5 tttt -95.27 62.78 2.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 1.3 m120 158.6 -54.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.452 ' N ' ' OD1' ' A' ' 1' ' ' ASP . . . 103.66 25.6 7.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -147.39 32.6 0.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.458 ' O ' ' C ' ' A' ' 7' ' ' GLU . . . 179.13 99.78 0.13 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.596 1.185 . . . . 0.0 110.955 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' A' ' 8' ' ' VAL . 17.1 pt-20 -33.77 149.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 0.739 . . . . 0.0 110.252 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.522 ' C ' ' O ' ' A' ' 7' ' ' GLU . 2.8 p 30.97 48.45 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -64.34 74.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.964 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 8' ' ' VAL . 4.0 m-85 60.22 12.73 3.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 111.07 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' OE2' ' O ' ' A' ' 10' ' ' PHE . 74.0 mm-40 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.33 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.14 57.04 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.529 ' C ' ' H ' ' A' ' 5' ' ' ASP . 0.6 OUTLIER 39.46 33.92 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.569 ' O ' ' CB ' ' A' ' 5' ' ' ASP . . . -73.22 26.56 0.83 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.462 1.101 . . . . 0.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.569 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 4.3 m-20 87.4 16.55 0.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 0.785 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 7' ' ' GLU . . . 113.56 -57.34 0.45 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.065 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.523 ' O ' ' N ' ' A' ' 9' ' ' SER . 11.7 pt-20 -38.46 159.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.308 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 11' ' ' GLU . 10.1 p -65.33 64.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -62.65 74.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.933 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 8' ' ' VAL . 14.6 m-85 56.31 15.02 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.502 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 58.3 mm-40 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.595 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 19.3 t0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 9' ' ' SER . 3.4 tmtt? -82.31 57.36 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -167.59 -84.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 5' ' ' ASP . . . -101.07 -6.73 51.36 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.533 1.145 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 0.9 OUTLIER 81.8 179.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.265 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 127.51 -77.43 0.39 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.498 ' O ' ' C ' ' A' ' 8' ' ' VAL . 7.5 tt0 -160.76 164.9 31.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 0.0 110.367 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.595 ' O ' ' HA ' ' A' ' 1' ' ' ASP . 1.9 p 32.71 -149.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.551 ' N ' ' CG1' ' A' ' 8' ' ' VAL . 0.5 OUTLIER 62.45 68.1 0.68 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.922 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.44 ' O ' ' CG ' ' A' ' 11' ' ' GLU . 4.9 m-85 49.04 20.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.44 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 51.9 mt-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 110.255 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' GLU . 1.5 t0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.41 ' O ' ' CG ' ' A' ' 3' ' ' ASN . 0.2 OUTLIER -98.81 54.07 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' A' ' 2' ' ' LYS . 8.2 m-20 167.96 -35.73 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.4 ' HA2' ' CG ' ' A' ' 1' ' ' ASP . . . 80.99 26.78 52.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.469 1.106 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -124.35 -153.17 0.54 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 0.768 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -55.17 -95.52 0.01 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.476 ' O ' ' C ' ' A' ' 8' ' ' VAL . 11.1 pt-20 -55.05 -177.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 0.732 . . . . 0.0 110.284 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.586 ' O ' ' CG1' ' A' ' 8' ' ' VAL . 0.7 OUTLIER 35.0 47.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 0.0 109.278 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.55 -23.8 14.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.567 1.167 . . . . 0.0 110.042 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -98.06 5.5 48.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.514 ' CD ' ' CG2' ' A' ' 8' ' ' VAL . 5.4 mt-10 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.25 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.552 ' O ' ' C ' ' A' ' 2' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER 28.67 62.01 0.13 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -164.22 -83.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.36 -3.31 8.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.475 1.109 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.68 20.63 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.582 ' O ' ' C ' ' A' ' 7' ' ' GLU . . . 103.87 114.6 3.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.582 ' C ' ' O ' ' A' ' 6' ' ' GLY . 14.6 pt-20 -22.98 134.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 0.797 . . . . 0.0 110.33 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.536 ' O ' ' CG1' ' A' ' 8' ' ' VAL . 2.1 p 32.28 51.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -70.14 77.62 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 56.24 14.98 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.475 ' CG ' ' HA ' ' A' ' 1' ' ' ASP . 3.6 mt-10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.267 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.511 ' N ' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.638 ' O ' ' CB ' ' A' ' 3' ' ' ASN . 0.2 OUTLIER -99.29 68.51 1.64 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.638 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 3.9 t-20 93.92 14.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.36 30.14 1.93 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.441 1.088 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -63.99 -157.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 0.751 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.5 -98.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.57 1.169 . . . . 0.0 111.033 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -85.49 41.39 0.89 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.639 ' O ' ' CG1' ' A' ' 8' ' ' VAL . 24.3 t -145.83 32.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.375 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.43 -19.68 21.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -106.12 8.12 32.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.511 ' N ' ' N ' ' A' ' 1' ' ' ASP . 4.0 mt-10 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.11 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.6 t0 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER -86.62 50.35 1.98 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 2' ' ' LYS . 9.6 m-20 173.42 -37.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 5' ' ' ASP . . . 102.35 14.5 27.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.584 1.177 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 3.7 m-20 155.87 -176.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 0.723 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 7' ' ' GLU . . . 42.1 94.76 0.01 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER 51.06 172.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 0.731 . . . . 0.0 110.36 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.513 ' CG2' ' HG3' ' A' ' 11' ' ' GLU . 0.6 OUTLIER 35.1 36.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 7' ' ' GLU . 0.2 OUTLIER -90.78 -14.07 32.71 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -105.09 5.05 32.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 111.03 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.513 ' HG3' ' CG2' ' A' ' 8' ' ' VAL . 5.3 mm-40 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.233 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 8' ' ' VAL . 15.2 t0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.499 ' CD ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -123.64 48.32 1.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.74 ' N ' ' HA ' ' A' ' 9' ' ' SER . 55.6 t30 -158.51 -67.26 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.435 ' C ' ' N ' ' A' ' 6' ' ' GLY . . . 41.05 23.32 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 3' ' ' ASN . 13.1 t0 39.35 30.92 0.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.522 0.777 . . . . 0.0 109.358 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.473 ' O ' ' OG ' ' A' ' 9' ' ' SER . . . 156.44 -75.59 0.21 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.433 1.083 . . . . 0.0 111.067 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.516 ' O ' ' C ' ' A' ' 8' ' ' VAL . 10.4 pt-20 -83.45 175.31 9.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 0.0 110.336 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.52 ' O ' ' CG1' ' A' ' 8' ' ' VAL . 2.6 p 31.17 51.19 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.74 ' HA ' ' N ' ' A' ' 3' ' ' ASN . 0.7 OUTLIER -115.39 -24.56 8.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 109.961 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -102.89 6.31 39.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.059 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.486 ' HG3' ' CG2' ' A' ' 8' ' ' VAL . 3.7 mt-10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 8' ' ' VAL . 2.6 tmtt? -97.42 52.05 1.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.422 ' CG ' ' O ' ' A' ' 2' ' ' LYS . 30.5 m-20 -179.25 -69.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.26 -51.05 0.34 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.91 -172.64 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.03 -55.12 2.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.3 OUTLIER -152.88 171.0 18.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 0.809 . . . . 0.0 110.246 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.654 ' O ' ' CG1' ' A' ' 8' ' ' VAL . 0.4 OUTLIER 37.73 30.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 7' ' ' GLU . 0.3 OUTLIER -87.72 -12.95 43.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.453 ' O ' ' O ' ' A' ' 11' ' ' GLU . 1.0 OUTLIER -100.18 3.99 44.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 111.029 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.573 ' CG ' ' CG2' ' A' ' 8' ' ' VAL . 2.3 mm-40 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.511 ' OD2' ' CA ' ' A' ' 4' ' ' GLY . 24.1 t0 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -88.19 59.73 5.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.238 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -175.06 -39.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.511 ' CA ' ' OD2' ' A' ' 1' ' ' ASP . . . 101.92 20.76 12.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.105 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.45 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 1.1 m-20 -100.19 15.42 27.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.753 . . . . 0.0 109.338 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.89 -50.76 3.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.415 1.072 . . . . 0.0 110.957 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -44.07 160.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 0.715 . . . . 0.0 110.271 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 10' ' ' PHE . 59.2 t -78.43 55.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -61.62 76.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.969 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.506 ' N ' ' O ' ' A' ' 8' ' ' VAL . 4.6 m-85 59.97 13.09 3.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.039 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.503 ' O ' ' CG1' ' A' ' 8' ' ' VAL . 73.6 mm-40 -154.43 -172.23 4.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.252 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 2.2 pt-20 . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.424 1.078 . . . . 0.0 110.258 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 4' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 9' ' ' SER . 24.5 tttt -95.27 62.78 2.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 1.3 m120 158.6 -54.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.452 ' N ' ' OD1' ' A' ' 1' ' ' ASP . . . 103.66 25.6 7.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -147.39 32.6 0.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.458 ' O ' ' C ' ' A' ' 7' ' ' GLU . . . 179.13 99.78 0.13 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.596 1.185 . . . . 0.0 110.955 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' A' ' 8' ' ' VAL . 17.1 pt-20 -33.77 149.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 0.739 . . . . 0.0 110.252 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.522 ' C ' ' O ' ' A' ' 7' ' ' GLU . 2.8 p 30.97 48.45 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -64.34 74.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.964 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 8' ' ' VAL . 4.0 m-85 60.22 12.73 3.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 111.07 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 12' ' ' GLU . 74.0 mm-40 -152.36 -171.82 4.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.468 ' CG ' HG23 ' A' ' 8' ' ' VAL . 2.5 mm-40 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.536 ' N ' ' N ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.14 57.04 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.529 ' C ' ' H ' ' A' ' 5' ' ' ASP . 0.6 OUTLIER 39.46 33.92 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.569 ' O ' ' CB ' ' A' ' 5' ' ' ASP . . . -73.22 26.56 0.83 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.462 1.101 . . . . 0.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.569 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 4.3 m-20 87.4 16.55 0.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 0.785 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 7' ' ' GLU . . . 113.56 -57.34 0.45 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.065 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.523 ' O ' ' N ' ' A' ' 9' ' ' SER . 11.7 pt-20 -38.46 159.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.308 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 11' ' ' GLU . 10.1 p -65.33 64.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -62.65 74.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.933 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 8' ' ' VAL . 14.6 m-85 56.31 15.02 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.502 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 58.3 mm-40 -156.37 -174.88 5.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.536 ' N ' ' N ' ' A' ' 1' ' ' ASP . 3.6 mm-40 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.595 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 19.3 t0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 9' ' ' SER . 3.4 tmtt? -82.31 57.36 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -167.59 -84.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 5' ' ' ASP . . . -101.07 -6.73 51.36 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.533 1.145 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 0.9 OUTLIER 81.8 179.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.265 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 127.51 -77.43 0.39 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.498 ' O ' ' C ' ' A' ' 8' ' ' VAL . 7.5 tt0 -160.76 164.9 31.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 0.0 110.367 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.595 ' O ' ' HA ' ' A' ' 1' ' ' ASP . 1.9 p 32.71 -149.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.551 ' N ' ' CG1' ' A' ' 8' ' ' VAL . 0.5 OUTLIER 62.45 68.1 0.68 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.922 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.44 ' O ' ' CG ' ' A' ' 11' ' ' GLU . 4.9 m-85 49.04 20.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.44 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 51.9 mt-10 -158.69 -171.88 3.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 110.255 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' GLU . 1.5 t0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.41 ' O ' ' CG ' ' A' ' 3' ' ' ASN . 0.2 OUTLIER -98.81 54.07 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' A' ' 2' ' ' LYS . 8.2 m-20 167.96 -35.73 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' HA2' ' CG ' ' A' ' 1' ' ' ASP . . . 80.99 26.78 52.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.469 1.106 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -124.35 -153.17 0.54 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 0.768 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -55.17 -95.52 0.01 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.476 ' O ' ' C ' ' A' ' 8' ' ' VAL . 11.1 pt-20 -55.05 -177.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 0.732 . . . . 0.0 110.284 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.586 ' O ' ' CG1' ' A' ' 8' ' ' VAL . 0.7 OUTLIER 35.0 47.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 0.0 109.278 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.55 -23.8 14.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.567 1.167 . . . . 0.0 110.042 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -98.06 5.5 48.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.514 ' CD ' ' CG2' ' A' ' 8' ' ' VAL . 5.4 mt-10 -70.58 -170.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.25 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 1.3 mm-40 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.34 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.552 ' O ' ' C ' ' A' ' 2' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER 28.67 62.01 0.13 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -164.22 -83.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.36 -3.31 8.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.475 1.109 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.68 20.63 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.582 ' O ' ' C ' ' A' ' 7' ' ' GLU . . . 103.87 114.6 3.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.582 ' C ' ' O ' ' A' ' 6' ' ' GLY . 14.6 pt-20 -22.98 134.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 0.797 . . . . 0.0 110.33 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.536 ' O ' ' CG1' ' A' ' 8' ' ' VAL . 2.1 p 32.28 51.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -70.14 77.62 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 56.24 14.98 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 12' ' ' GLU . 3.6 mt-10 -125.33 -169.87 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.267 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.253 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.511 ' N ' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.638 ' O ' ' CB ' ' A' ' 3' ' ' ASN . 0.2 OUTLIER -99.29 68.51 1.64 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.638 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 3.9 t-20 93.92 14.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.36 30.14 1.93 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.441 1.088 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -63.99 -157.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 0.751 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.5 -98.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.57 1.169 . . . . 0.0 111.033 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -85.49 41.39 0.89 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.639 ' O ' ' CG1' ' A' ' 8' ' ' VAL . 24.3 t -145.83 32.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.375 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.43 -19.68 21.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -106.12 8.12 32.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 12' ' ' GLU . 4.0 mt-10 -58.92 -169.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.11 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 3.1 mt-10 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.6 t0 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER -86.62 50.35 1.98 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 2' ' ' LYS . 9.6 m-20 173.42 -37.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 5' ' ' ASP . . . 102.35 14.5 27.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.584 1.177 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 3.7 m-20 155.87 -176.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 0.723 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 7' ' ' GLU . . . 42.1 94.76 0.01 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER 51.06 172.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 0.731 . . . . 0.0 110.36 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.513 ' CG2' ' HG3' ' A' ' 11' ' ' GLU . 0.6 OUTLIER 35.1 36.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 7' ' ' GLU . 0.2 OUTLIER -90.78 -14.07 32.71 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -105.09 5.05 32.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 111.03 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 12' ' ' GLU . 5.3 mm-40 -66.82 -168.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.233 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.518 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 8' ' ' VAL . 15.2 t0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.499 ' CD ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -123.64 48.32 1.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.74 ' N ' ' HA ' ' A' ' 9' ' ' SER . 55.6 t30 -158.51 -67.26 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.435 ' C ' ' N ' ' A' ' 6' ' ' GLY . . . 41.05 23.32 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 3' ' ' ASN . 13.1 t0 39.35 30.92 0.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.522 0.777 . . . . 0.0 109.358 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.473 ' O ' ' OG ' ' A' ' 9' ' ' SER . . . 156.44 -75.59 0.21 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.433 1.083 . . . . 0.0 111.067 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.516 ' O ' ' C ' ' A' ' 8' ' ' VAL . 10.4 pt-20 -83.45 175.31 9.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 0.0 110.336 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.52 ' O ' ' CG1' ' A' ' 8' ' ' VAL . 2.6 p 31.17 51.19 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.74 ' HA ' ' N ' ' A' ' 3' ' ' ASN . 0.7 OUTLIER -115.39 -24.56 8.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 109.961 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -102.89 6.31 39.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.059 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 12' ' ' GLU . 3.7 mt-10 -53.42 -171.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.357 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 8' ' ' VAL . 2.6 tmtt? -97.42 52.05 1.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.422 ' CG ' ' O ' ' A' ' 2' ' ' LYS . 30.5 m-20 -179.25 -69.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.26 -51.05 0.34 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.91 -172.64 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.03 -55.12 2.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.3 OUTLIER -152.88 171.0 18.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 0.809 . . . . 0.0 110.246 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.654 ' O ' ' CG1' ' A' ' 8' ' ' VAL . 0.4 OUTLIER 37.73 30.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 7' ' ' GLU . 0.3 OUTLIER -87.72 -12.95 43.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.453 ' O ' ' O ' ' A' ' 11' ' ' GLU . 1.0 OUTLIER -100.18 3.99 44.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 111.029 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.573 ' CG ' ' CG2' ' A' ' 8' ' ' VAL . 2.3 mm-40 -50.71 -172.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.326 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.504 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.165 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.691 ' H2 ' ' C ' ' A' ' 11' ' ' GLU . 24.1 t0 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.515 ' O ' ' ND2' ' A' ' 3' ' ' ASN . 0.0 OUTLIER -88.19 59.73 5.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.238 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 2' ' ' LYS . 0.3 OUTLIER -175.06 -39.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.511 ' CA ' ' OD2' ' A' ' 1' ' ' ASP . . . 101.92 20.76 12.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.105 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.45 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 1.1 m-20 -100.19 15.42 27.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.753 . . . . 0.0 109.338 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.89 -50.76 3.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.415 1.072 . . . . 0.0 110.957 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -44.07 160.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 0.715 . . . . 0.0 110.271 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.833 HG13 ' O ' ' A' ' 11' ' ' GLU . 59.2 t -78.43 55.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -61.62 76.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.969 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.506 ' N ' ' O ' ' A' ' 8' ' ' VAL . 4.6 m-85 59.97 13.09 3.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.039 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.833 ' O ' HG13 ' A' ' 8' ' ' VAL . 73.6 mm-40 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.252 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 4' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 9' ' ' SER . 24.5 tttt -95.27 62.78 2.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 1.3 m120 158.6 -54.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.452 ' N ' ' OD1' ' A' ' 1' ' ' ASP . . . 103.66 25.6 7.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -147.39 32.6 0.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.458 ' O ' ' C ' ' A' ' 7' ' ' GLU . . . 179.13 99.78 0.13 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.596 1.185 . . . . 0.0 110.955 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' A' ' 8' ' ' VAL . 17.1 pt-20 -33.77 149.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 0.739 . . . . 0.0 110.252 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.742 HG13 ' O ' ' A' ' 8' ' ' VAL . 2.8 p 30.97 48.45 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -64.34 74.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.964 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 8' ' ' VAL . 4.0 m-85 60.22 12.73 3.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 111.07 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.487 ' CG ' ' HB2' ' A' ' 2' ' ' LYS . 74.0 mm-40 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.33 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.516 ' H2 ' ' C ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -79.14 57.04 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.54 ' C ' ' H ' ' A' ' 5' ' ' ASP . 0.6 OUTLIER 39.46 33.92 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.569 ' O ' ' CB ' ' A' ' 5' ' ' ASP . . . -73.22 26.56 0.83 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.462 1.101 . . . . 0.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.569 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 4.3 m-20 87.4 16.55 0.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 0.785 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 7' ' ' GLU . . . 113.56 -57.34 0.45 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.065 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.555 ' O ' ' N ' ' A' ' 9' ' ' SER . 11.7 pt-20 -38.46 159.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.308 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 11' ' ' GLU . 10.1 p -65.33 64.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.555 ' N ' ' O ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -62.65 74.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.933 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 8' ' ' VAL . 14.6 m-85 56.31 15.02 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.714 ' O ' HG23 ' A' ' 8' ' ' VAL . 58.3 mm-40 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.569 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 19.3 t0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 9' ' ' SER . 3.4 tmtt? -82.31 57.36 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -167.59 -84.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 5' ' ' ASP . . . -101.07 -6.73 51.36 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.533 1.145 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 0.9 OUTLIER 81.8 179.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.265 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 127.51 -77.43 0.39 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.498 ' O ' ' C ' ' A' ' 8' ' ' VAL . 7.5 tt0 -160.76 164.9 31.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 0.0 110.367 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.803 HG13 ' N ' ' A' ' 9' ' ' SER . 1.9 p 32.71 -149.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.803 ' N ' HG13 ' A' ' 8' ' ' VAL . 0.5 OUTLIER 62.45 68.1 0.68 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.922 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.44 ' O ' ' CG ' ' A' ' 11' ' ' GLU . 4.9 m-85 49.04 20.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.44 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 51.9 mt-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 110.255 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.5 ' H2 ' ' C ' ' A' ' 11' ' ' GLU . 1.5 t0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.45 ' HB2' ' CB ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -98.81 54.07 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.488 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . 8.2 m-20 167.96 -35.73 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.4 ' HA2' ' CG ' ' A' ' 1' ' ' ASP . . . 80.99 26.78 52.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.469 1.106 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -124.35 -153.17 0.54 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 0.768 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -55.17 -95.52 0.01 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.476 ' O ' ' C ' ' A' ' 8' ' ' VAL . 11.1 pt-20 -55.05 -177.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 0.732 . . . . 0.0 110.284 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.821 HG13 ' O ' ' A' ' 8' ' ' VAL . 0.7 OUTLIER 35.0 47.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 0.0 109.278 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.412 ' HA ' ' CG ' ' A' ' 1' ' ' ASP . 0.1 OUTLIER -99.55 -23.8 14.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.567 1.167 . . . . 0.0 110.042 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -98.06 5.5 48.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.514 ' CD ' ' CG2' ' A' ' 8' ' ' VAL . 5.4 mt-10 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.25 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.552 ' O ' ' C ' ' A' ' 2' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER 28.67 62.01 0.13 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -164.22 -83.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.36 -3.31 8.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.475 1.109 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.68 20.63 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.582 ' O ' ' C ' ' A' ' 7' ' ' GLU . . . 103.87 114.6 3.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.582 ' C ' ' O ' ' A' ' 6' ' ' GLY . 14.6 pt-20 -22.98 134.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 0.797 . . . . 0.0 110.33 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 8' ' ' VAL . 2.1 p 32.28 51.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -70.14 77.62 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 56.24 14.98 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.507 ' HB2' ' N ' ' A' ' 2' ' ' LYS . 3.6 mt-10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.267 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.613 ' H2 ' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.638 ' O ' ' CB ' ' A' ' 3' ' ' ASN . 0.2 OUTLIER -99.29 68.51 1.64 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.638 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 3.9 t-20 93.92 14.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.36 30.14 1.93 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.441 1.088 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -63.99 -157.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 0.751 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.5 -98.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.57 1.169 . . . . 0.0 111.033 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -85.49 41.39 0.89 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.848 HG12 ' O ' ' A' ' 8' ' ' VAL . 24.3 t -145.83 32.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.375 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.43 -19.68 21.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -106.12 8.12 32.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.613 ' N ' ' H2 ' ' A' ' 1' ' ' ASP . 4.0 mt-10 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.11 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.6 t0 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER -86.62 50.35 1.98 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 2' ' ' LYS . 9.6 m-20 173.42 -37.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 5' ' ' ASP . . . 102.35 14.5 27.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.584 1.177 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 3.7 m-20 155.87 -176.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 0.723 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 7' ' ' GLU . . . 42.1 94.76 0.01 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER 51.06 172.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 0.731 . . . . 0.0 110.36 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.738 HG13 ' O ' ' A' ' 8' ' ' VAL . 0.6 OUTLIER 35.1 36.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 7' ' ' GLU . 0.2 OUTLIER -90.78 -14.07 32.71 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -105.09 5.05 32.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 111.03 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.577 ' CG ' HG22 ' A' ' 8' ' ' VAL . 5.3 mm-40 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.233 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 8' ' ' VAL . 15.2 t0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.499 ' CD ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -123.64 48.32 1.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.751 ' N ' ' HA ' ' A' ' 9' ' ' SER . 55.6 t30 -158.51 -67.26 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.435 ' C ' ' N ' ' A' ' 6' ' ' GLY . . . 41.05 23.32 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 3' ' ' ASN . 13.1 t0 39.35 30.92 0.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.522 0.777 . . . . 0.0 109.358 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.473 ' O ' ' OG ' ' A' ' 9' ' ' SER . . . 156.44 -75.59 0.21 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.433 1.083 . . . . 0.0 111.067 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.516 ' O ' ' C ' ' A' ' 8' ' ' VAL . 10.4 pt-20 -83.45 175.31 9.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 0.0 110.336 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.761 HG13 ' O ' ' A' ' 8' ' ' VAL . 2.6 p 31.17 51.19 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.751 ' HA ' ' N ' ' A' ' 3' ' ' ASN . 0.7 OUTLIER -115.39 -24.56 8.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 109.961 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -102.89 6.31 39.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.059 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.502 ' HG3' HG23 ' A' ' 8' ' ' VAL . 3.7 mt-10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.631 ' H2 ' ' HB2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.46 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 2.6 tmtt? -97.42 52.05 1.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.422 ' CG ' ' O ' ' A' ' 2' ' ' LYS . 30.5 m-20 -179.25 -69.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.26 -51.05 0.34 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.91 -172.64 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.03 -55.12 2.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.3 OUTLIER -152.88 171.0 18.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 0.809 . . . . 0.0 110.246 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 1.119 HG22 ' CG ' ' A' ' 11' ' ' GLU . 0.4 OUTLIER 37.73 30.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 7' ' ' GLU . 0.3 OUTLIER -87.72 -12.95 43.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.453 ' O ' ' O ' ' A' ' 11' ' ' GLU . 1.0 OUTLIER -100.18 3.99 44.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 111.029 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 1.119 ' CG ' HG22 ' A' ' 8' ' ' VAL . 2.3 mm-40 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.691 ' H2 ' ' C ' ' A' ' 11' ' ' GLU . 24.1 t0 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.515 ' O ' ' ND2' ' A' ' 3' ' ' ASN . 0.0 OUTLIER -88.19 59.73 5.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.238 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 2' ' ' LYS . 0.3 OUTLIER -175.06 -39.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.511 ' CA ' ' OD2' ' A' ' 1' ' ' ASP . . . 101.92 20.76 12.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.105 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.45 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 1.1 m-20 -100.19 15.42 27.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.753 . . . . 0.0 109.338 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.89 -50.76 3.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.415 1.072 . . . . 0.0 110.957 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -44.07 160.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 0.715 . . . . 0.0 110.271 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.833 HG13 ' O ' ' A' ' 11' ' ' GLU . 59.2 t -78.43 55.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -61.62 76.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.969 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.506 ' N ' ' O ' ' A' ' 8' ' ' VAL . 4.6 m-85 59.97 13.09 3.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.039 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.833 ' O ' HG13 ' A' ' 8' ' ' VAL . 73.6 mm-40 -154.43 -172.23 4.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.252 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 2.2 pt-20 . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.424 1.078 . . . . 0.0 110.258 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 4' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 9' ' ' SER . 24.5 tttt -95.27 62.78 2.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 1.3 m120 158.6 -54.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.452 ' N ' ' OD1' ' A' ' 1' ' ' ASP . . . 103.66 25.6 7.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -147.39 32.6 0.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.458 ' O ' ' C ' ' A' ' 7' ' ' GLU . . . 179.13 99.78 0.13 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.596 1.185 . . . . 0.0 110.955 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' A' ' 8' ' ' VAL . 17.1 pt-20 -33.77 149.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 0.739 . . . . 0.0 110.252 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.742 HG13 ' O ' ' A' ' 8' ' ' VAL . 2.8 p 30.97 48.45 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -64.34 74.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.964 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 8' ' ' VAL . 4.0 m-85 60.22 12.73 3.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 111.07 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.487 ' CG ' ' HB2' ' A' ' 2' ' ' LYS . 74.0 mm-40 -152.36 -171.82 4.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.517 ' CG ' HG23 ' A' ' 8' ' ' VAL . 2.5 mm-40 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.893 ' H2 ' ' N ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -79.14 57.04 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.54 ' C ' ' H ' ' A' ' 5' ' ' ASP . 0.6 OUTLIER 39.46 33.92 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.569 ' O ' ' CB ' ' A' ' 5' ' ' ASP . . . -73.22 26.56 0.83 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.462 1.101 . . . . 0.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.569 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 4.3 m-20 87.4 16.55 0.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 0.785 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 7' ' ' GLU . . . 113.56 -57.34 0.45 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.065 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.555 ' O ' ' N ' ' A' ' 9' ' ' SER . 11.7 pt-20 -38.46 159.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.308 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 11' ' ' GLU . 10.1 p -65.33 64.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.555 ' N ' ' O ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -62.65 74.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.933 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 8' ' ' VAL . 14.6 m-85 56.31 15.02 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.714 ' O ' HG23 ' A' ' 8' ' ' VAL . 58.3 mm-40 -156.37 -174.88 5.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.893 ' N ' ' H2 ' ' A' ' 1' ' ' ASP . 3.6 mm-40 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.569 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 19.3 t0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 9' ' ' SER . 3.4 tmtt? -82.31 57.36 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -167.59 -84.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 5' ' ' ASP . . . -101.07 -6.73 51.36 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.533 1.145 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 0.9 OUTLIER 81.8 179.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.265 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 127.51 -77.43 0.39 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.498 ' O ' ' C ' ' A' ' 8' ' ' VAL . 7.5 tt0 -160.76 164.9 31.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 0.0 110.367 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.803 HG13 ' N ' ' A' ' 9' ' ' SER . 1.9 p 32.71 -149.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.803 ' N ' HG13 ' A' ' 8' ' ' VAL . 0.5 OUTLIER 62.45 68.1 0.68 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.922 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.44 ' O ' ' CG ' ' A' ' 11' ' ' GLU . 4.9 m-85 49.04 20.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.44 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 51.9 mt-10 -158.69 -171.88 3.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 110.255 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.5 ' H2 ' ' C ' ' A' ' 11' ' ' GLU . 1.5 t0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.45 ' HB2' ' CB ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -98.81 54.07 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.488 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . 8.2 m-20 167.96 -35.73 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' HA2' ' CG ' ' A' ' 1' ' ' ASP . . . 80.99 26.78 52.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.469 1.106 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -124.35 -153.17 0.54 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 0.768 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -55.17 -95.52 0.01 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.476 ' O ' ' C ' ' A' ' 8' ' ' VAL . 11.1 pt-20 -55.05 -177.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 0.732 . . . . 0.0 110.284 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.821 HG13 ' O ' ' A' ' 8' ' ' VAL . 0.7 OUTLIER 35.0 47.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 0.0 109.278 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.412 ' HA ' ' CG ' ' A' ' 1' ' ' ASP . 0.1 OUTLIER -99.55 -23.8 14.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.567 1.167 . . . . 0.0 110.042 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -98.06 5.5 48.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.514 ' CD ' ' CG2' ' A' ' 8' ' ' VAL . 5.4 mt-10 -70.58 -170.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.25 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 1.3 mm-40 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.34 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.552 ' O ' ' C ' ' A' ' 2' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER 28.67 62.01 0.13 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -164.22 -83.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.36 -3.31 8.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.475 1.109 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.68 20.63 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.582 ' O ' ' C ' ' A' ' 7' ' ' GLU . . . 103.87 114.6 3.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.582 ' C ' ' O ' ' A' ' 6' ' ' GLY . 14.6 pt-20 -22.98 134.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 0.797 . . . . 0.0 110.33 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 8' ' ' VAL . 2.1 p 32.28 51.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -70.14 77.62 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 56.24 14.98 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.507 ' HB2' ' N ' ' A' ' 2' ' ' LYS . 3.6 mt-10 -125.33 -169.87 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.267 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.253 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.613 ' H2 ' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.638 ' O ' ' CB ' ' A' ' 3' ' ' ASN . 0.2 OUTLIER -99.29 68.51 1.64 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.638 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 3.9 t-20 93.92 14.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.36 30.14 1.93 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.441 1.088 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -63.99 -157.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 0.751 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.5 -98.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.57 1.169 . . . . 0.0 111.033 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -85.49 41.39 0.89 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.848 HG12 ' O ' ' A' ' 8' ' ' VAL . 24.3 t -145.83 32.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.375 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.43 -19.68 21.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -106.12 8.12 32.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.613 ' N ' ' H2 ' ' A' ' 1' ' ' ASP . 4.0 mt-10 -58.92 -169.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.11 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 3.1 mt-10 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.6 t0 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER -86.62 50.35 1.98 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 2' ' ' LYS . 9.6 m-20 173.42 -37.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 5' ' ' ASP . . . 102.35 14.5 27.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.584 1.177 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 3.7 m-20 155.87 -176.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 0.723 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 7' ' ' GLU . . . 42.1 94.76 0.01 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER 51.06 172.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 0.731 . . . . 0.0 110.36 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.738 HG13 ' O ' ' A' ' 8' ' ' VAL . 0.6 OUTLIER 35.1 36.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 7' ' ' GLU . 0.2 OUTLIER -90.78 -14.07 32.71 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -105.09 5.05 32.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 111.03 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.577 ' CG ' HG22 ' A' ' 8' ' ' VAL . 5.3 mm-40 -66.82 -168.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.233 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.518 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 8' ' ' VAL . 15.2 t0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.499 ' CD ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -123.64 48.32 1.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.751 ' N ' ' HA ' ' A' ' 9' ' ' SER . 55.6 t30 -158.51 -67.26 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.435 ' C ' ' N ' ' A' ' 6' ' ' GLY . . . 41.05 23.32 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 3' ' ' ASN . 13.1 t0 39.35 30.92 0.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.522 0.777 . . . . 0.0 109.358 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.473 ' O ' ' OG ' ' A' ' 9' ' ' SER . . . 156.44 -75.59 0.21 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.433 1.083 . . . . 0.0 111.067 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.516 ' O ' ' C ' ' A' ' 8' ' ' VAL . 10.4 pt-20 -83.45 175.31 9.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 0.0 110.336 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.761 HG13 ' O ' ' A' ' 8' ' ' VAL . 2.6 p 31.17 51.19 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.751 ' HA ' ' N ' ' A' ' 3' ' ' ASN . 0.7 OUTLIER -115.39 -24.56 8.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 109.961 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -102.89 6.31 39.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.059 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.502 ' HG3' HG23 ' A' ' 8' ' ' VAL . 3.7 mt-10 -53.42 -171.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.357 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.631 ' H2 ' ' HB2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.46 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 2.6 tmtt? -97.42 52.05 1.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.422 ' CG ' ' O ' ' A' ' 2' ' ' LYS . 30.5 m-20 -179.25 -69.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.26 -51.05 0.34 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.91 -172.64 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.03 -55.12 2.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.3 OUTLIER -152.88 171.0 18.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 0.809 . . . . 0.0 110.246 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 1.119 HG22 ' CG ' ' A' ' 11' ' ' GLU . 0.4 OUTLIER 37.73 30.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 7' ' ' GLU . 0.3 OUTLIER -87.72 -12.95 43.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.453 ' O ' ' O ' ' A' ' 11' ' ' GLU . 1.0 OUTLIER -100.18 3.99 44.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 111.029 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 1.119 ' CG ' HG22 ' A' ' 8' ' ' VAL . 2.3 mm-40 -50.71 -172.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.326 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.504 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.165 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.691 ' H2 ' ' C ' ' A' ' 11' ' ' GLU . 24.1 t0 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -88.19 59.73 5.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.238 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -175.06 -39.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.511 ' CA ' ' OD2' ' A' ' 1' ' ' ASP . . . 101.92 20.76 12.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.105 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.45 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 1.1 m-20 -100.19 15.42 27.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.753 . . . . 0.0 109.338 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.89 -50.76 3.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.415 1.072 . . . . 0.0 110.957 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -44.07 160.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 0.715 . . . . 0.0 110.271 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.833 HG13 ' O ' ' A' ' 11' ' ' GLU . 59.2 t -78.43 55.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -61.62 76.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.969 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.506 ' N ' ' O ' ' A' ' 8' ' ' VAL . 4.6 m-85 59.97 13.09 3.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.039 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.833 ' O ' HG13 ' A' ' 8' ' ' VAL . 73.6 mm-40 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.252 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 4' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 9' ' ' SER . 24.5 tttt -95.27 62.78 2.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 1.3 m120 158.6 -54.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.452 ' N ' ' OD1' ' A' ' 1' ' ' ASP . . . 103.66 25.6 7.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -147.39 32.6 0.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.458 ' O ' ' C ' ' A' ' 7' ' ' GLU . . . 179.13 99.78 0.13 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.596 1.185 . . . . 0.0 110.955 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' A' ' 8' ' ' VAL . 17.1 pt-20 -33.77 149.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 0.739 . . . . 0.0 110.252 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.742 ' O ' HG13 ' A' ' 8' ' ' VAL . 2.8 p 30.97 48.45 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -64.34 74.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.964 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 8' ' ' VAL . 4.0 m-85 60.22 12.73 3.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 111.07 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.487 ' CG ' ' HB2' ' A' ' 2' ' ' LYS . 74.0 mm-40 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.33 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.516 ' H2 ' ' C ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -79.14 57.04 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.54 ' C ' ' H ' ' A' ' 5' ' ' ASP . 0.6 OUTLIER 39.46 33.92 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.569 ' O ' ' CB ' ' A' ' 5' ' ' ASP . . . -73.22 26.56 0.83 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.462 1.101 . . . . 0.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.569 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 4.3 m-20 87.4 16.55 0.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 0.785 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 7' ' ' GLU . . . 113.56 -57.34 0.45 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.065 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.555 ' O ' ' N ' ' A' ' 9' ' ' SER . 11.7 pt-20 -38.46 159.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.308 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 11' ' ' GLU . 10.1 p -65.33 64.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.555 ' N ' ' O ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -62.65 74.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.933 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 8' ' ' VAL . 14.6 m-85 56.31 15.02 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.714 ' O ' HG23 ' A' ' 8' ' ' VAL . 58.3 mm-40 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.569 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 19.3 t0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 9' ' ' SER . 3.4 tmtt? -82.31 57.36 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -167.59 -84.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 5' ' ' ASP . . . -101.07 -6.73 51.36 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.533 1.145 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 0.9 OUTLIER 81.8 179.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.265 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 127.51 -77.43 0.39 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.498 ' O ' ' C ' ' A' ' 8' ' ' VAL . 7.5 tt0 -160.76 164.9 31.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 0.0 110.367 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.803 HG13 ' N ' ' A' ' 9' ' ' SER . 1.9 p 32.71 -149.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.803 ' N ' HG13 ' A' ' 8' ' ' VAL . 0.5 OUTLIER 62.45 68.1 0.68 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.922 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.44 ' O ' ' CG ' ' A' ' 11' ' ' GLU . 4.9 m-85 49.04 20.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.44 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 51.9 mt-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 110.255 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.5 ' H2 ' ' C ' ' A' ' 11' ' ' GLU . 1.5 t0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.45 ' HB2' ' CB ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -98.81 54.07 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.488 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . 8.2 m-20 167.96 -35.73 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.4 ' HA2' ' CG ' ' A' ' 1' ' ' ASP . . . 80.99 26.78 52.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.469 1.106 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -124.35 -153.17 0.54 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 0.768 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -55.17 -95.52 0.01 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.476 ' O ' ' C ' ' A' ' 8' ' ' VAL . 11.1 pt-20 -55.05 -177.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 0.732 . . . . 0.0 110.284 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.821 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.7 OUTLIER 35.0 47.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 0.0 109.278 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.412 ' HA ' ' CG ' ' A' ' 1' ' ' ASP . 0.1 OUTLIER -99.55 -23.8 14.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.567 1.167 . . . . 0.0 110.042 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -98.06 5.5 48.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.514 ' CD ' ' CG2' ' A' ' 8' ' ' VAL . 5.4 mt-10 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.25 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.552 ' O ' ' C ' ' A' ' 2' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER 28.67 62.01 0.13 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -164.22 -83.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.36 -3.31 8.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.475 1.109 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.68 20.63 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.582 ' O ' ' C ' ' A' ' 7' ' ' GLU . . . 103.87 114.6 3.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.582 ' C ' ' O ' ' A' ' 6' ' ' GLY . 14.6 pt-20 -22.98 134.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 0.797 . . . . 0.0 110.33 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.799 ' O ' HG13 ' A' ' 8' ' ' VAL . 2.1 p 32.28 51.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -70.14 77.62 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 56.24 14.98 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.507 ' HB2' ' N ' ' A' ' 2' ' ' LYS . 3.6 mt-10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.267 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.613 ' H2 ' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.638 ' O ' ' CB ' ' A' ' 3' ' ' ASN . 0.2 OUTLIER -99.29 68.51 1.64 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.638 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 3.9 t-20 93.92 14.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.36 30.14 1.93 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.441 1.088 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -63.99 -157.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 0.751 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.5 -98.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.57 1.169 . . . . 0.0 111.033 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -85.49 41.39 0.89 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.848 ' O ' HG12 ' A' ' 8' ' ' VAL . 24.3 t -145.83 32.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.375 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.43 -19.68 21.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -106.12 8.12 32.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.613 ' N ' ' H2 ' ' A' ' 1' ' ' ASP . 4.0 mt-10 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.11 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.6 t0 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER -86.62 50.35 1.98 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 2' ' ' LYS . 9.6 m-20 173.42 -37.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 5' ' ' ASP . . . 102.35 14.5 27.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.584 1.177 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 3.7 m-20 155.87 -176.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 0.723 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 7' ' ' GLU . . . 42.1 94.76 0.01 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER 51.06 172.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 0.731 . . . . 0.0 110.36 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.738 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.6 OUTLIER 35.1 36.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 7' ' ' GLU . 0.2 OUTLIER -90.78 -14.07 32.71 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -105.09 5.05 32.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 111.03 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.577 ' CG ' HG22 ' A' ' 8' ' ' VAL . 5.3 mm-40 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.233 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 8' ' ' VAL . 15.2 t0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.499 ' CD ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -123.64 48.32 1.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.751 ' N ' ' HA ' ' A' ' 9' ' ' SER . 55.6 t30 -158.51 -67.26 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.435 ' C ' ' N ' ' A' ' 6' ' ' GLY . . . 41.05 23.32 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 3' ' ' ASN . 13.1 t0 39.35 30.92 0.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.522 0.777 . . . . 0.0 109.358 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.473 ' O ' ' OG ' ' A' ' 9' ' ' SER . . . 156.44 -75.59 0.21 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.433 1.083 . . . . 0.0 111.067 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.516 ' O ' ' C ' ' A' ' 8' ' ' VAL . 10.4 pt-20 -83.45 175.31 9.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 0.0 110.336 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.761 ' O ' HG13 ' A' ' 8' ' ' VAL . 2.6 p 31.17 51.19 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.751 ' HA ' ' N ' ' A' ' 3' ' ' ASN . 0.7 OUTLIER -115.39 -24.56 8.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 109.961 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -102.89 6.31 39.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.059 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.502 ' HG3' HG23 ' A' ' 8' ' ' VAL . 3.7 mt-10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.631 ' H2 ' ' HB2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.46 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 2.6 tmtt? -97.42 52.05 1.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.422 ' CG ' ' O ' ' A' ' 2' ' ' LYS . 30.5 m-20 -179.25 -69.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.26 -51.05 0.34 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.91 -172.64 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.03 -55.12 2.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.3 OUTLIER -152.88 171.0 18.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 0.809 . . . . 0.0 110.246 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 1.119 HG22 ' CG ' ' A' ' 11' ' ' GLU . 0.4 OUTLIER 37.73 30.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 7' ' ' GLU . 0.3 OUTLIER -87.72 -12.95 43.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.453 ' O ' ' O ' ' A' ' 11' ' ' GLU . 1.0 OUTLIER -100.18 3.99 44.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 111.029 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 1.119 ' CG ' HG22 ' A' ' 8' ' ' VAL . 2.3 mm-40 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.691 ' H2 ' ' C ' ' A' ' 11' ' ' GLU . 24.1 t0 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -88.19 59.73 5.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.238 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -175.06 -39.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.511 ' CA ' ' OD2' ' A' ' 1' ' ' ASP . . . 101.92 20.76 12.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.105 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.45 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 1.1 m-20 -100.19 15.42 27.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.753 . . . . 0.0 109.338 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.89 -50.76 3.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.415 1.072 . . . . 0.0 110.957 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -44.07 160.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 0.715 . . . . 0.0 110.271 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.833 HG13 ' O ' ' A' ' 11' ' ' GLU . 59.2 t -78.43 55.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -61.62 76.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.969 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.506 ' N ' ' O ' ' A' ' 8' ' ' VAL . 4.6 m-85 59.97 13.09 3.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.039 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.833 ' O ' HG13 ' A' ' 8' ' ' VAL . 73.6 mm-40 -154.43 -172.23 4.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.252 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 2.2 pt-20 . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.424 1.078 . . . . 0.0 110.258 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 4' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 9' ' ' SER . 24.5 tttt -95.27 62.78 2.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 1.3 m120 158.6 -54.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.452 ' N ' ' OD1' ' A' ' 1' ' ' ASP . . . 103.66 25.6 7.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -147.39 32.6 0.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.458 ' O ' ' C ' ' A' ' 7' ' ' GLU . . . 179.13 99.78 0.13 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.596 1.185 . . . . 0.0 110.955 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' A' ' 8' ' ' VAL . 17.1 pt-20 -33.77 149.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 0.739 . . . . 0.0 110.252 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.742 ' O ' HG13 ' A' ' 8' ' ' VAL . 2.8 p 30.97 48.45 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -64.34 74.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.964 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 8' ' ' VAL . 4.0 m-85 60.22 12.73 3.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 111.07 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.487 ' CG ' ' HB2' ' A' ' 2' ' ' LYS . 74.0 mm-40 -152.36 -171.82 4.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.517 ' CG ' HG23 ' A' ' 8' ' ' VAL . 2.5 mm-40 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.893 ' H2 ' ' N ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -79.14 57.04 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.54 ' C ' ' H ' ' A' ' 5' ' ' ASP . 0.6 OUTLIER 39.46 33.92 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.569 ' O ' ' CB ' ' A' ' 5' ' ' ASP . . . -73.22 26.56 0.83 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.462 1.101 . . . . 0.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.569 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 4.3 m-20 87.4 16.55 0.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 0.785 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 7' ' ' GLU . . . 113.56 -57.34 0.45 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.065 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.555 ' O ' ' N ' ' A' ' 9' ' ' SER . 11.7 pt-20 -38.46 159.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.308 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 11' ' ' GLU . 10.1 p -65.33 64.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.555 ' N ' ' O ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -62.65 74.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.933 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 8' ' ' VAL . 14.6 m-85 56.31 15.02 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.714 ' O ' HG23 ' A' ' 8' ' ' VAL . 58.3 mm-40 -156.37 -174.88 5.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.893 ' N ' ' H2 ' ' A' ' 1' ' ' ASP . 3.6 mm-40 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.569 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 19.3 t0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 9' ' ' SER . 3.4 tmtt? -82.31 57.36 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -167.59 -84.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 5' ' ' ASP . . . -101.07 -6.73 51.36 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.533 1.145 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 0.9 OUTLIER 81.8 179.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.265 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 127.51 -77.43 0.39 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.498 ' O ' ' C ' ' A' ' 8' ' ' VAL . 7.5 tt0 -160.76 164.9 31.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 0.0 110.367 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.803 HG13 ' N ' ' A' ' 9' ' ' SER . 1.9 p 32.71 -149.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.803 ' N ' HG13 ' A' ' 8' ' ' VAL . 0.5 OUTLIER 62.45 68.1 0.68 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.922 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.44 ' O ' ' CG ' ' A' ' 11' ' ' GLU . 4.9 m-85 49.04 20.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.44 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 51.9 mt-10 -158.69 -171.88 3.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 110.255 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.5 ' H2 ' ' C ' ' A' ' 11' ' ' GLU . 1.5 t0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.45 ' HB2' ' CB ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -98.81 54.07 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.488 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . 8.2 m-20 167.96 -35.73 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' HA2' ' CG ' ' A' ' 1' ' ' ASP . . . 80.99 26.78 52.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.469 1.106 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -124.35 -153.17 0.54 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 0.768 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -55.17 -95.52 0.01 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.476 ' O ' ' C ' ' A' ' 8' ' ' VAL . 11.1 pt-20 -55.05 -177.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 0.732 . . . . 0.0 110.284 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.821 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.7 OUTLIER 35.0 47.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 0.0 109.278 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.412 ' HA ' ' CG ' ' A' ' 1' ' ' ASP . 0.1 OUTLIER -99.55 -23.8 14.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.567 1.167 . . . . 0.0 110.042 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -98.06 5.5 48.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.514 ' CD ' ' CG2' ' A' ' 8' ' ' VAL . 5.4 mt-10 -70.58 -170.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.25 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 1.3 mm-40 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.34 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.552 ' O ' ' C ' ' A' ' 2' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER 28.67 62.01 0.13 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -164.22 -83.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.36 -3.31 8.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.475 1.109 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.68 20.63 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.582 ' O ' ' C ' ' A' ' 7' ' ' GLU . . . 103.87 114.6 3.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.582 ' C ' ' O ' ' A' ' 6' ' ' GLY . 14.6 pt-20 -22.98 134.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 0.797 . . . . 0.0 110.33 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.799 ' O ' HG13 ' A' ' 8' ' ' VAL . 2.1 p 32.28 51.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -70.14 77.62 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 56.24 14.98 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.507 ' HB2' ' N ' ' A' ' 2' ' ' LYS . 3.6 mt-10 -125.33 -169.87 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.267 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.253 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.613 ' H2 ' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.638 ' O ' ' CB ' ' A' ' 3' ' ' ASN . 0.2 OUTLIER -99.29 68.51 1.64 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.638 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 3.9 t-20 93.92 14.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.36 30.14 1.93 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.441 1.088 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -63.99 -157.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 0.751 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.5 -98.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.57 1.169 . . . . 0.0 111.033 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -85.49 41.39 0.89 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.848 ' O ' HG12 ' A' ' 8' ' ' VAL . 24.3 t -145.83 32.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.375 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.43 -19.68 21.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -106.12 8.12 32.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.613 ' N ' ' H2 ' ' A' ' 1' ' ' ASP . 4.0 mt-10 -58.92 -169.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.11 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 3.1 mt-10 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.6 t0 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER -86.62 50.35 1.98 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 2' ' ' LYS . 9.6 m-20 173.42 -37.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 5' ' ' ASP . . . 102.35 14.5 27.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.584 1.177 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 3.7 m-20 155.87 -176.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 0.723 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 7' ' ' GLU . . . 42.1 94.76 0.01 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER 51.06 172.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 0.731 . . . . 0.0 110.36 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.738 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.6 OUTLIER 35.1 36.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 7' ' ' GLU . 0.2 OUTLIER -90.78 -14.07 32.71 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -105.09 5.05 32.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 111.03 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.577 ' CG ' HG22 ' A' ' 8' ' ' VAL . 5.3 mm-40 -66.82 -168.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.233 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.518 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 8' ' ' VAL . 15.2 t0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.499 ' CD ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -123.64 48.32 1.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.751 ' N ' ' HA ' ' A' ' 9' ' ' SER . 55.6 t30 -158.51 -67.26 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.435 ' C ' ' N ' ' A' ' 6' ' ' GLY . . . 41.05 23.32 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 3' ' ' ASN . 13.1 t0 39.35 30.92 0.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.522 0.777 . . . . 0.0 109.358 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.473 ' O ' ' OG ' ' A' ' 9' ' ' SER . . . 156.44 -75.59 0.21 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.433 1.083 . . . . 0.0 111.067 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.516 ' O ' ' C ' ' A' ' 8' ' ' VAL . 10.4 pt-20 -83.45 175.31 9.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 0.0 110.336 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.761 ' O ' HG13 ' A' ' 8' ' ' VAL . 2.6 p 31.17 51.19 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.751 ' HA ' ' N ' ' A' ' 3' ' ' ASN . 0.7 OUTLIER -115.39 -24.56 8.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 109.961 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -102.89 6.31 39.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.059 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.502 ' HG3' HG23 ' A' ' 8' ' ' VAL . 3.7 mt-10 -53.42 -171.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.357 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.631 ' H2 ' ' HB2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.46 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 2.6 tmtt? -97.42 52.05 1.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.422 ' CG ' ' O ' ' A' ' 2' ' ' LYS . 30.5 m-20 -179.25 -69.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.26 -51.05 0.34 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.91 -172.64 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.03 -55.12 2.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.3 OUTLIER -152.88 171.0 18.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 0.809 . . . . 0.0 110.246 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 1.119 HG22 ' CG ' ' A' ' 11' ' ' GLU . 0.4 OUTLIER 37.73 30.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 7' ' ' GLU . 0.3 OUTLIER -87.72 -12.95 43.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.453 ' O ' ' O ' ' A' ' 11' ' ' GLU . 1.0 OUTLIER -100.18 3.99 44.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 111.029 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 1.119 ' CG ' HG22 ' A' ' 8' ' ' VAL . 2.3 mm-40 -50.71 -172.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.326 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.504 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.165 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 stop_ save_