data_1rsw_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 1rsw _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 . . . . . 0.769 ' HB3' ' CD2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 1.194 ' N ' ' HA ' ' A' ' 8' ' ' VAL . 1.2 ttmt 61.17 -11.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.734 ' H ' ' C ' ' A' ' 1' ' ' ASP . 3.9 t30 -179.59 -25.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.95 -23.3 11.02 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 111.062 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.553 ' CG ' ' HB3' ' A' ' 9' ' ' SER . 59.7 t0 -124.12 -41.41 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.452 ' HA3' ' OG ' ' A' ' 9' ' ' SER . . . 161.75 90.67 0.08 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.541 1.151 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.799 ' O ' ' CG1' ' A' ' 8' ' ' VAL . 19.4 mm-40 52.01 41.27 29.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.281 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 1.194 ' HA ' ' N ' ' A' ' 2' ' ' LYS . 0.9 OUTLIER 94.65 3.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.553 ' HB3' ' CG ' ' A' ' 5' ' ' ASP . 30.6 m -31.94 -46.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.017 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.769 ' CD2' ' HB3' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -69.77 -51.63 32.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 111.057 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 8' ' ' VAL . 9.2 mm-40 -89.46 6.26 41.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.902 ' N ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.339 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 1.274 ' C ' ' HA ' ' A' ' 9' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 1.327 ' N ' ' HA ' ' A' ' 9' ' ' SER . 3.9 ttmt 111.54 34.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 109.325 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.907 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 27.7 t-20 118.63 4.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.97 -50.0 0.18 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.479 1.112 . . . . 0.0 111.073 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.971 ' H ' ' N ' ' A' ' 1' ' ' ASP . 8.0 t0 -73.31 -47.18 44.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.4 0.706 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.729 ' O ' ' CB ' ' A' ' 7' ' ' GLU . . . -129.47 -42.03 0.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.907 ' HA ' ' HA ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER 137.79 24.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 0.776 . . . . 0.0 110.264 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 1.206 ' C ' ' HA ' ' A' ' 2' ' ' LYS . 8.1 p 176.48 19.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 1.327 ' HA ' ' N ' ' A' ' 2' ' ' LYS . 8.5 t 105.59 56.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.021 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 1.008 ' CG ' ' O ' ' A' ' 9' ' ' SER . 7.6 p90 57.58 -14.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.749 ' H ' ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -73.36 -2.69 23.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.697 ' HB3' ' C ' ' A' ' 6' ' ' GLY . 10.1 tp10 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 110.335 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 1.049 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 1.237 ' H ' ' N ' ' A' ' 9' ' ' SER . 4.5 mtmt 168.27 93.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.812 ' H ' ' N ' ' A' ' 8' ' ' VAL . 3.1 t30 71.14 -20.2 0.23 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.935 ' HA3' ' OG ' ' A' ' 9' ' ' SER . . . -63.26 -26.24 69.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.557 1.16 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.942 ' N ' ' HA ' ' A' ' 9' ' ' SER . 11.6 t70 -129.61 -61.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.708 ' O ' ' CB ' ' A' ' 12' ' ' GLU . . . -153.84 62.55 0.37 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.443 1.089 . . . . 0.0 111.055 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.626 ' C ' ' CG2' ' A' ' 8' ' ' VAL . 55.0 mm-40 76.98 15.36 1.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 1.125 ' C ' ' N ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -171.34 35.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 1.237 ' N ' ' H ' ' A' ' 2' ' ' LYS . 0.1 OUTLIER 36.35 27.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.003 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 1.103 ' HB3' ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER 124.4 -36.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.756 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 17.3 tp10 -50.81 -0.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.416 1.072 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.708 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 1.6 tp10 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.082 . . . . 0.0 110.285 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 1.463 ' HA ' ' N ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.812 ' H ' ' H ' ' A' ' 7' ' ' GLU . 1.3 ttmt 85.67 22.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 1.006 ' CA ' ' HB ' ' A' ' 8' ' ' VAL . 2.2 t30 153.55 -21.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.642 ' C ' ' CB ' ' A' ' 9' ' ' SER . . . -127.86 -12.82 2.86 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 1.399 ' C ' ' HA ' ' A' ' 1' ' ' ASP . 0.7 OUTLIER 152.71 62.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.581 0.812 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 1.463 ' N ' ' HA ' ' A' ' 1' ' ' ASP . . . -153.17 -55.91 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.873 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . 1.6 mm-40 -155.81 -18.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 1.006 ' HB ' ' CA ' ' A' ' 3' ' ' ASN . 11.1 t -114.15 5.89 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.642 ' CB ' ' C ' ' A' ' 4' ' ' GLY . 0.5 OUTLIER -142.77 -61.19 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.947 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 1.054 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -81.17 -48.61 11.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 110.965 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 1.054 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -85.3 -7.44 58.99 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.583 ' CG ' ' O ' ' A' ' 7' ' ' GLU . 1.9 mm-40 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 1.401 ' HA ' ' N ' ' A' ' 6' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.801 ' H ' ' H ' ' A' ' 7' ' ' GLU . 0.5 OUTLIER 86.99 22.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 1.001 ' CA ' ' HB ' ' A' ' 8' ' ' VAL . 1.2 t30 153.87 -22.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.392 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.616 ' C ' ' CB ' ' A' ' 9' ' ' SER . . . -125.95 -11.45 3.93 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.478 1.112 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 1.368 ' C ' ' HA ' ' A' ' 1' ' ' ASP . 3.3 m-20 150.3 62.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 109.251 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 1.401 ' N ' ' HA ' ' A' ' 1' ' ' ASP . . . -153.1 -55.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.108 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.855 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . 2.1 mm-40 -155.35 -18.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 110.252 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 1.001 ' HB ' ' CA ' ' A' ' 3' ' ' ASN . 11.6 t -113.84 4.76 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.63 ' CB ' ' N ' ' A' ' 5' ' ' ASP . 0.5 OUTLIER -141.77 -62.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.987 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 1.056 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -79.05 -48.97 13.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.576 1.173 . . . . 0.0 110.959 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 1.056 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.2 tp10 -85.38 -7.4 58.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.582 ' CG ' ' O ' ' A' ' 7' ' ' GLU . 2.1 mm-40 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 1.226 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.6 p-10 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.877 ' N ' ' HA3' ' A' ' 6' ' ' GLY . 5.9 mtmt 168.7 42.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.744 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 17.2 t-20 127.14 -63.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.817 ' C ' ' CB ' ' A' ' 9' ' ' SER . . . -86.01 -14.96 65.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 1.226 ' O ' ' HA ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -163.15 28.05 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 109.313 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.966 ' HA3' ' C ' ' A' ' 1' ' ' ASP . . . -166.59 -121.52 0.56 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.856 ' H ' ' HA ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER 0.35 -23.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 0.802 . . . . 0.0 110.321 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.779 ' HA ' ' HB3' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -164.26 -71.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.817 ' CB ' ' C ' ' A' ' 4' ' ' GLY . 3.0 m -27.07 -68.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 1.028 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -120.78 -93.26 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.412 1.07 . . . . 0.0 111.023 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 1.028 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -21.45 -28.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.961 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 1.477 ' HA ' ' N ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.793 ' H ' ' H ' ' A' ' 7' ' ' GLU . 1.5 ttmt 85.5 17.04 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.842 ' CA ' ' HB ' ' A' ' 8' ' ' VAL . 2.1 t-20 161.38 -26.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 1.008 ' N ' ' OG ' ' A' ' 9' ' ' SER . . . -123.06 -14.63 4.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.573 1.171 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 1.399 ' C ' ' HA ' ' A' ' 1' ' ' ASP . 0.6 OUTLIER 155.34 64.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 1.477 ' N ' ' HA ' ' A' ' 1' ' ' ASP . . . -152.39 -57.82 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.903 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . 1.8 mm-40 -153.75 -21.0 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 0.752 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.842 ' HB ' ' CA ' ' A' ' 3' ' ' ASN . 5.4 t -111.51 4.24 8.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 1.134 ' OG ' ' N ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -138.58 -64.08 0.53 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 109.949 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 1.054 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -79.64 -48.95 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.978 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 1.054 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.3 tp10 -83.71 -6.89 59.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.573 ' CG ' ' O ' ' A' ' 7' ' ' GLU . 1.6 mm-40 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.24 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 1.442 ' HA ' ' C ' ' A' ' 5' ' ' ASP . 9.7 p-10 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.738 ' HA ' ' H ' ' A' ' 7' ' ' GLU . 7.1 mtmt 175.29 35.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.718 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 10.0 t30 130.29 -17.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.55 ' C ' ' OG ' ' A' ' 9' ' ' SER . . . -133.09 -10.52 1.95 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.16 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 1.442 ' C ' ' HA ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -165.22 29.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.755 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 1.039 ' O ' ' N ' ' A' ' 8' ' ' VAL . . . -178.67 -105.15 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 111.058 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.83 ' O ' ' CB ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -16.59 -32.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 1.039 ' N ' ' O ' ' A' ' 6' ' ' GLY . 2.1 m -137.56 -63.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.68 ' N ' ' CG2' ' A' ' 8' ' ' VAL . 69.8 m -51.09 -69.85 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.97 ' CE2' ' HB3' ' A' ' 5' ' ' ASP . 1.0 OUTLIER -104.12 -117.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 1.008 ' N ' ' HA2' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -2.35 -24.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.83 ' CB ' ' O ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 1.213 ' CA ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 1.416 ' H ' ' N ' ' A' ' 9' ' ' SER . 6.1 mtmt 169.1 78.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 1.062 ' H ' ' N ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER 71.17 -22.62 0.19 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.755 ' CA ' ' HA ' ' A' ' 9' ' ' SER . . . -53.07 -23.32 15.99 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.456 1.097 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.83 ' N ' ' HA ' ' A' ' 9' ' ' SER . 12.6 t70 -116.48 -65.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.486 ' O ' ' CD ' ' A' ' 7' ' ' GLU . . . -132.66 -46.8 0.11 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.743 ' C ' HG23 ' A' ' 8' ' ' VAL . 72.5 mm-40 -157.21 0.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 1.379 ' C ' ' N ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER -157.58 45.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 109.314 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 1.416 ' N ' ' H ' ' A' ' 2' ' ' LYS . 67.5 m 42.49 34.63 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.996 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 1.094 ' HB3' ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER 114.8 -36.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.933 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.625 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 11.5 tp10 -58.4 -1.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.603 ' CB ' HG23 ' A' ' 8' ' ' VAL . 1.2 tp10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 1.213 ' CA ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 1.418 ' H ' ' N ' ' A' ' 9' ' ' SER . 5.9 mtmt 169.07 78.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 1.06 ' H ' ' N ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER 71.59 -22.67 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.754 ' CA ' ' HA ' ' A' ' 9' ' ' SER . . . -52.85 -23.42 15.19 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.827 ' N ' ' HA ' ' A' ' 9' ' ' SER . 12.5 t70 -116.36 -65.08 1.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.759 . . . . 0.0 109.272 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.489 ' O ' ' CD ' ' A' ' 7' ' ' GLU . . . -132.89 -46.71 0.11 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.755 ' C ' HG21 ' A' ' 8' ' ' VAL . 76.9 mm-40 -157.35 0.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 1.377 ' C ' ' N ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER -157.62 45.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 1.418 ' N ' ' H ' ' A' ' 2' ' ' LYS . 69.7 m 42.49 34.58 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.972 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 1.095 ' HB3' ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER 114.84 -36.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.623 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 14.3 tp10 -58.59 -1.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.598 ' CB ' HG21 ' A' ' 8' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 1.024 ' HA ' ' HB3' ' A' ' 10' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 1.289 ' N ' ' H ' ' A' ' 9' ' ' SER . 2.5 mtmt 154.48 -60.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 1.041 ' HA ' ' H ' ' A' ' 7' ' ' GLU . 23.9 t-20 -79.69 -76.61 0.21 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.958 ' N ' ' HA ' ' A' ' 9' ' ' SER . . . -26.13 -27.69 0.0 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.998 ' CB ' ' HA ' ' A' ' 10' ' ' PHE . 10.1 t0 -117.11 -40.9 3.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 0.805 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.805 ' O ' ' CG ' ' A' ' 7' ' ' GLU . . . 169.31 67.17 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.44 1.087 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 1.041 ' H ' ' HA ' ' A' ' 3' ' ' ASN . 3.1 mm-40 145.98 -59.35 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.479 0.752 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 1.031 ' HB ' ' CB ' ' A' ' 2' ' ' LYS . 11.8 t -132.61 -50.08 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 1.289 ' H ' ' N ' ' A' ' 2' ' ' LYS . 0.3 OUTLIER 174.43 32.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.032 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 1.078 ' N ' ' H ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER 165.3 18.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.895 ' CA ' ' HA ' ' A' ' 2' ' ' LYS . 74.7 mt-10 49.96 36.07 10.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.56 1.162 . . . . 0.0 110.291 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.888 ' HB3' ' HG3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.769 ' HB3' ' CD2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 1.194 ' N ' ' HA ' ' A' ' 8' ' ' VAL . 1.2 ttmt 61.17 -11.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.734 ' H ' ' C ' ' A' ' 1' ' ' ASP . 3.9 t30 -179.59 -25.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.95 -23.3 11.02 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 111.062 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.553 ' CG ' ' HB3' ' A' ' 9' ' ' SER . 59.7 t0 -124.12 -41.41 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.452 ' HA3' ' OG ' ' A' ' 9' ' ' SER . . . 161.75 90.67 0.08 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.541 1.151 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.799 ' O ' ' CG1' ' A' ' 8' ' ' VAL . 19.4 mm-40 52.01 41.27 29.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.281 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 1.194 ' HA ' ' N ' ' A' ' 2' ' ' LYS . 0.9 OUTLIER 94.65 3.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.553 ' HB3' ' CG ' ' A' ' 5' ' ' ASP . 30.6 m -31.94 -46.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.017 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.769 ' CD2' ' HB3' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -69.77 -51.63 32.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 111.057 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 8' ' ' VAL . 9.2 mm-40 -89.46 6.26 41.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.902 ' N ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.339 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 1.274 ' C ' ' HA ' ' A' ' 9' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 1.327 ' N ' ' HA ' ' A' ' 9' ' ' SER . 3.9 ttmt 111.54 34.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 109.325 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.907 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 27.7 t-20 118.63 4.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.97 -50.0 0.18 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.479 1.112 . . . . 0.0 111.073 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.971 ' H ' ' N ' ' A' ' 1' ' ' ASP . 8.0 t0 -73.31 -47.18 44.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.4 0.706 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.729 ' O ' ' CB ' ' A' ' 7' ' ' GLU . . . -129.47 -42.03 0.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.907 ' HA ' ' HA ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER 137.79 24.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 0.776 . . . . 0.0 110.264 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 1.206 ' C ' ' HA ' ' A' ' 2' ' ' LYS . 8.1 p 176.48 19.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 1.327 ' HA ' ' N ' ' A' ' 2' ' ' LYS . 8.5 t 105.59 56.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.021 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 1.008 ' CG ' ' O ' ' A' ' 9' ' ' SER . 7.6 p90 57.58 -14.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.749 ' H ' ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -73.36 -2.69 23.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.697 ' HB3' ' C ' ' A' ' 6' ' ' GLY . 10.1 tp10 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 110.335 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 1.049 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 1.237 ' H ' ' N ' ' A' ' 9' ' ' SER . 4.5 mtmt 168.27 93.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.812 ' H ' ' N ' ' A' ' 8' ' ' VAL . 3.1 t30 71.14 -20.2 0.23 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.935 ' HA3' ' OG ' ' A' ' 9' ' ' SER . . . -63.26 -26.24 69.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.557 1.16 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.942 ' N ' ' HA ' ' A' ' 9' ' ' SER . 11.6 t70 -129.61 -61.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.708 ' O ' ' CB ' ' A' ' 12' ' ' GLU . . . -153.84 62.55 0.37 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.443 1.089 . . . . 0.0 111.055 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.626 ' C ' ' CG2' ' A' ' 8' ' ' VAL . 55.0 mm-40 76.98 15.36 1.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 1.125 ' C ' ' N ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -171.34 35.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 1.237 ' N ' ' H ' ' A' ' 2' ' ' LYS . 0.1 OUTLIER 36.35 27.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.003 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 1.103 ' HB3' ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER 124.4 -36.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.756 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 17.3 tp10 -50.81 -0.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.416 1.072 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.708 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 1.6 tp10 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.082 . . . . 0.0 110.285 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 1.463 ' HA ' ' N ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.812 ' H ' ' H ' ' A' ' 7' ' ' GLU . 1.3 ttmt 85.67 22.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 1.006 ' CA ' ' HB ' ' A' ' 8' ' ' VAL . 2.2 t30 153.55 -21.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.642 ' C ' ' CB ' ' A' ' 9' ' ' SER . . . -127.86 -12.82 2.86 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 1.399 ' C ' ' HA ' ' A' ' 1' ' ' ASP . 0.7 OUTLIER 152.71 62.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.581 0.812 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 1.463 ' N ' ' HA ' ' A' ' 1' ' ' ASP . . . -153.17 -55.91 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.873 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . 1.6 mm-40 -155.81 -18.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 1.006 ' HB ' ' CA ' ' A' ' 3' ' ' ASN . 11.1 t -114.15 5.89 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.642 ' CB ' ' C ' ' A' ' 4' ' ' GLY . 0.5 OUTLIER -142.77 -61.19 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.947 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 1.054 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -81.17 -48.61 11.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 110.965 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 1.054 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -85.3 -7.44 58.99 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.583 ' CG ' ' O ' ' A' ' 7' ' ' GLU . 1.9 mm-40 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 1.401 ' HA ' ' N ' ' A' ' 6' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.801 ' H ' ' H ' ' A' ' 7' ' ' GLU . 0.5 OUTLIER 86.99 22.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 1.001 ' CA ' ' HB ' ' A' ' 8' ' ' VAL . 1.2 t30 153.87 -22.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.392 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.616 ' C ' ' CB ' ' A' ' 9' ' ' SER . . . -125.95 -11.45 3.93 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.478 1.112 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 1.368 ' C ' ' HA ' ' A' ' 1' ' ' ASP . 3.3 m-20 150.3 62.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 109.251 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 1.401 ' N ' ' HA ' ' A' ' 1' ' ' ASP . . . -153.1 -55.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.108 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.855 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . 2.1 mm-40 -155.35 -18.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 110.252 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 1.001 ' HB ' ' CA ' ' A' ' 3' ' ' ASN . 11.6 t -113.84 4.76 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.63 ' CB ' ' N ' ' A' ' 5' ' ' ASP . 0.5 OUTLIER -141.77 -62.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.987 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 1.056 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -79.05 -48.97 13.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.576 1.173 . . . . 0.0 110.959 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 1.056 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.2 tp10 -85.38 -7.4 58.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.582 ' CG ' ' O ' ' A' ' 7' ' ' GLU . 2.1 mm-40 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 1.226 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.6 p-10 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.877 ' N ' ' HA3' ' A' ' 6' ' ' GLY . 5.9 mtmt 168.7 42.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.744 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 17.2 t-20 127.14 -63.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.817 ' C ' ' CB ' ' A' ' 9' ' ' SER . . . -86.01 -14.96 65.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 1.226 ' O ' ' HA ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -163.15 28.05 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 109.313 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.966 ' HA3' ' C ' ' A' ' 1' ' ' ASP . . . -166.59 -121.52 0.56 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.856 ' H ' ' HA ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER 0.35 -23.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 0.802 . . . . 0.0 110.321 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.779 ' HA ' ' HB3' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -164.26 -71.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.817 ' CB ' ' C ' ' A' ' 4' ' ' GLY . 3.0 m -27.07 -68.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 1.028 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -120.78 -93.26 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.412 1.07 . . . . 0.0 111.023 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 1.028 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -21.45 -28.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.961 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 1.477 ' HA ' ' N ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.793 ' H ' ' H ' ' A' ' 7' ' ' GLU . 1.5 ttmt 85.5 17.04 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.842 ' CA ' ' HB ' ' A' ' 8' ' ' VAL . 2.1 t-20 161.38 -26.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 1.008 ' N ' ' OG ' ' A' ' 9' ' ' SER . . . -123.06 -14.63 4.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.573 1.171 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 1.399 ' C ' ' HA ' ' A' ' 1' ' ' ASP . 0.6 OUTLIER 155.34 64.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 1.477 ' N ' ' HA ' ' A' ' 1' ' ' ASP . . . -152.39 -57.82 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.903 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . 1.8 mm-40 -153.75 -21.0 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 0.752 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.842 ' HB ' ' CA ' ' A' ' 3' ' ' ASN . 5.4 t -111.51 4.24 8.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 1.134 ' OG ' ' N ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -138.58 -64.08 0.53 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 109.949 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 1.054 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -79.64 -48.95 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.978 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 1.054 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.3 tp10 -83.71 -6.89 59.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.573 ' CG ' ' O ' ' A' ' 7' ' ' GLU . 1.6 mm-40 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.24 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 1.442 ' HA ' ' C ' ' A' ' 5' ' ' ASP . 9.7 p-10 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.738 ' HA ' ' H ' ' A' ' 7' ' ' GLU . 7.1 mtmt 175.29 35.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.718 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 10.0 t30 130.29 -17.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.55 ' C ' ' OG ' ' A' ' 9' ' ' SER . . . -133.09 -10.52 1.95 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.16 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 1.442 ' C ' ' HA ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -165.22 29.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.755 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 1.039 ' O ' ' N ' ' A' ' 8' ' ' VAL . . . -178.67 -105.15 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 111.058 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.83 ' O ' ' CB ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -16.59 -32.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 1.039 ' N ' ' O ' ' A' ' 6' ' ' GLY . 2.1 m -137.56 -63.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.68 ' N ' ' CG2' ' A' ' 8' ' ' VAL . 69.8 m -51.09 -69.85 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.97 ' CE2' ' HB3' ' A' ' 5' ' ' ASP . 1.0 OUTLIER -104.12 -117.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 1.008 ' N ' ' HA2' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -2.35 -24.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.83 ' CB ' ' O ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 1.213 ' CA ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 1.416 ' H ' ' N ' ' A' ' 9' ' ' SER . 6.1 mtmt 169.1 78.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 1.062 ' H ' ' N ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER 71.17 -22.62 0.19 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.755 ' CA ' ' HA ' ' A' ' 9' ' ' SER . . . -53.07 -23.32 15.99 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.456 1.097 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.83 ' N ' ' HA ' ' A' ' 9' ' ' SER . 12.6 t70 -116.48 -65.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.486 ' O ' ' CD ' ' A' ' 7' ' ' GLU . . . -132.66 -46.8 0.11 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.743 ' C ' HG23 ' A' ' 8' ' ' VAL . 72.5 mm-40 -157.21 0.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 1.379 ' C ' ' N ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER -157.58 45.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 109.314 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 1.416 ' N ' ' H ' ' A' ' 2' ' ' LYS . 67.5 m 42.49 34.63 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.996 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 1.094 ' HB3' ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER 114.8 -36.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.933 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.625 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 11.5 tp10 -58.4 -1.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.603 ' CB ' HG23 ' A' ' 8' ' ' VAL . 1.2 tp10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 1.213 ' CA ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 1.418 ' H ' ' N ' ' A' ' 9' ' ' SER . 5.9 mtmt 169.07 78.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 1.06 ' H ' ' N ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER 71.59 -22.67 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.754 ' CA ' ' HA ' ' A' ' 9' ' ' SER . . . -52.85 -23.42 15.19 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.827 ' N ' ' HA ' ' A' ' 9' ' ' SER . 12.5 t70 -116.36 -65.08 1.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.759 . . . . 0.0 109.272 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.489 ' O ' ' CD ' ' A' ' 7' ' ' GLU . . . -132.89 -46.71 0.11 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.755 ' C ' HG21 ' A' ' 8' ' ' VAL . 76.9 mm-40 -157.35 0.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 1.377 ' C ' ' N ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER -157.62 45.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 1.418 ' N ' ' H ' ' A' ' 2' ' ' LYS . 69.7 m 42.49 34.58 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.972 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 1.095 ' HB3' ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER 114.84 -36.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.623 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 14.3 tp10 -58.59 -1.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.598 ' CB ' HG21 ' A' ' 8' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 1.024 ' HA ' ' HB3' ' A' ' 10' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 1.289 ' N ' ' H ' ' A' ' 9' ' ' SER . 2.5 mtmt 154.48 -60.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 1.041 ' HA ' ' H ' ' A' ' 7' ' ' GLU . 23.9 t-20 -79.69 -76.61 0.21 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.958 ' N ' ' HA ' ' A' ' 9' ' ' SER . . . -26.13 -27.69 0.0 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.998 ' CB ' ' HA ' ' A' ' 10' ' ' PHE . 10.1 t0 -117.11 -40.9 3.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 0.805 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.805 ' O ' ' CG ' ' A' ' 7' ' ' GLU . . . 169.31 67.17 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.44 1.087 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 1.041 ' H ' ' HA ' ' A' ' 3' ' ' ASN . 3.1 mm-40 145.98 -59.35 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.479 0.752 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 1.031 ' HB ' ' CB ' ' A' ' 2' ' ' LYS . 11.8 t -132.61 -50.08 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 1.289 ' H ' ' N ' ' A' ' 2' ' ' LYS . 0.3 OUTLIER 174.43 32.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.032 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 1.078 ' N ' ' H ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER 165.3 18.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.895 ' CA ' ' HA ' ' A' ' 2' ' ' LYS . 74.7 mt-10 49.96 36.07 10.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.56 1.162 . . . . 0.0 110.291 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.888 ' HB3' ' HG3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.77 ' HB3' ' CD2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 1.181 ' N ' ' HA ' ' A' ' 8' ' ' VAL . 1.2 ttmt 61.17 -11.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.741 ' H ' ' C ' ' A' ' 1' ' ' ASP . 3.9 t30 -179.59 -25.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.95 -23.3 11.02 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 111.062 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.814 ' HB3' ' HB2' ' A' ' 9' ' ' SER . 59.7 t0 -124.12 -41.41 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.616 ' N ' ' HB2' ' A' ' 9' ' ' SER . . . 161.75 90.67 0.08 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.541 1.151 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 1.046 ' O ' HG12 ' A' ' 8' ' ' VAL . 19.4 mm-40 52.01 41.27 29.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.281 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 1.181 ' HA ' ' N ' ' A' ' 2' ' ' LYS . 0.9 OUTLIER 94.65 3.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.814 ' HB2' ' HB3' ' A' ' 5' ' ' ASP . 30.6 m -31.94 -46.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.017 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.77 ' CD2' ' HB3' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -69.77 -51.63 32.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 111.057 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.544 ' HG2' ' HB3' ' A' ' 1' ' ' ASP . 9.2 mm-40 -89.46 6.26 41.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 1.116 ' CB ' HG13 ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.339 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 1.243 ' C ' ' HA ' ' A' ' 9' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 1.283 ' N ' ' HA ' ' A' ' 9' ' ' SER . 3.9 ttmt 111.54 34.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 109.325 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.925 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 27.7 t-20 118.63 4.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.97 -50.0 0.18 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.479 1.112 . . . . 0.0 111.073 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.987 ' H ' ' N ' ' A' ' 1' ' ' ASP . 8.0 t0 -73.31 -47.18 44.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.4 0.706 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.729 ' O ' ' CB ' ' A' ' 7' ' ' GLU . . . -129.47 -42.03 0.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.925 ' HA ' ' HA ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER 137.79 24.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 0.776 . . . . 0.0 110.264 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 1.173 ' C ' ' HA ' ' A' ' 2' ' ' LYS . 8.1 p 176.48 19.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . 1.283 ' HA ' ' N ' ' A' ' 2' ' ' LYS . 8.5 t 105.59 56.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.021 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 1.008 ' CG ' ' O ' ' A' ' 9' ' ' SER . 7.6 p90 57.58 -14.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.76 ' H ' ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -73.36 -2.69 23.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.937 ' HB2' HG12 ' A' ' 8' ' ' VAL . 10.1 tp10 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 110.335 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 1.095 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 1.249 ' H ' ' N ' ' A' ' 9' ' ' SER . 4.5 mtmt 168.27 93.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.826 ' H ' ' N ' ' A' ' 8' ' ' VAL . 3.1 t30 71.14 -20.2 0.23 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.937 ' HA3' ' OG ' ' A' ' 9' ' ' SER . . . -63.26 -26.24 69.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.557 1.16 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.929 ' N ' ' HA ' ' A' ' 9' ' ' SER . 11.6 t70 -129.61 -61.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.708 ' O ' ' CB ' ' A' ' 12' ' ' GLU . . . -153.84 62.55 0.37 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.443 1.089 . . . . 0.0 111.055 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.758 ' C ' HG22 ' A' ' 8' ' ' VAL . 55.0 mm-40 76.98 15.36 1.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 1.125 ' C ' ' N ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -171.34 35.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . 1.249 ' N ' ' H ' ' A' ' 2' ' ' LYS . 0.1 OUTLIER 36.35 27.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.003 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 1.103 ' HB3' ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER 124.4 -36.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.755 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 17.3 tp10 -50.81 -0.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.416 1.072 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.934 ' CB ' HG23 ' A' ' 8' ' ' VAL . 1.6 tp10 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.082 . . . . 0.0 110.285 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 1.483 ' HA ' ' N ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.817 ' H ' ' H ' ' A' ' 7' ' ' GLU . 1.3 ttmt 85.67 22.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 1.006 ' CA ' ' HB ' ' A' ' 8' ' ' VAL . 2.2 t30 153.55 -21.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.811 ' N ' ' HB2' ' A' ' 9' ' ' SER . . . -127.86 -12.82 2.86 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 1.402 ' C ' ' HA ' ' A' ' 1' ' ' ASP . 0.7 OUTLIER 152.71 62.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.581 0.812 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 1.483 ' N ' ' HA ' ' A' ' 1' ' ' ASP . . . -153.17 -55.91 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.835 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . 1.6 mm-40 -155.81 -18.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 1.006 ' HB ' ' CA ' ' A' ' 3' ' ' ASN . 11.1 t -114.15 5.89 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.811 ' HB2' ' N ' ' A' ' 4' ' ' GLY . 0.5 OUTLIER -142.77 -61.19 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.947 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 1.054 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -81.17 -48.61 11.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 110.965 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 1.054 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -85.3 -7.44 58.99 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.611 ' HB2' ' CA ' ' A' ' 8' ' ' VAL . 1.9 mm-40 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 1.382 ' HA ' ' N ' ' A' ' 6' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.809 ' H ' ' H ' ' A' ' 7' ' ' GLU . 0.5 OUTLIER 86.99 22.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 1.001 ' CA ' ' HB ' ' A' ' 8' ' ' VAL . 2.3 t-20 153.87 -22.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.392 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.786 ' N ' ' HB2' ' A' ' 9' ' ' SER . . . -125.95 -11.45 3.93 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.478 1.112 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 1.352 ' C ' ' HA ' ' A' ' 1' ' ' ASP . 3.3 m-20 150.3 62.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 109.251 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 1.382 ' N ' ' HA ' ' A' ' 1' ' ' ASP . . . -153.1 -55.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.108 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.813 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . 2.1 mm-40 -155.35 -18.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 110.252 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 1.001 ' HB ' ' CA ' ' A' ' 3' ' ' ASN . 11.6 t -113.84 4.76 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.786 ' HB2' ' N ' ' A' ' 4' ' ' GLY . 0.5 OUTLIER -141.77 -62.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.987 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 1.056 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -79.05 -48.97 13.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.576 1.173 . . . . 0.0 110.959 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 1.056 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.2 tp10 -85.38 -7.4 58.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.624 ' HB2' ' CA ' ' A' ' 8' ' ' VAL . 2.1 mm-40 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 1.216 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.6 p-10 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.878 ' N ' ' HA3' ' A' ' 6' ' ' GLY . 5.9 mtmt 168.7 42.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.744 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 17.2 t-20 127.14 -63.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.817 ' C ' ' CB ' ' A' ' 9' ' ' SER . . . -86.01 -14.96 65.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 1.216 ' O ' ' HA ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -163.15 28.05 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 109.313 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.966 ' HA3' ' C ' ' A' ' 1' ' ' ASP . . . -166.59 -121.52 0.56 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.861 ' C ' ' HB2' ' A' ' 12' ' ' GLU . 0.0 OUTLIER 0.35 -23.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 0.802 . . . . 0.0 110.321 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.727 ' HA ' ' HB3' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -164.26 -71.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.817 ' CB ' ' C ' ' A' ' 4' ' ' GLY . 3.0 m -27.07 -68.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 1.028 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -120.78 -93.26 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.412 1.07 . . . . 0.0 111.023 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 1.028 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -21.45 -28.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.961 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 1.499 ' HA ' ' N ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.795 ' H ' ' H ' ' A' ' 7' ' ' GLU . 1.5 ttmt 85.5 17.04 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.843 ' CA ' ' HB ' ' A' ' 8' ' ' VAL . 2.1 t-20 161.38 -26.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 1.008 ' N ' ' OG ' ' A' ' 9' ' ' SER . . . -123.06 -14.63 4.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.573 1.171 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 1.403 ' C ' ' HA ' ' A' ' 1' ' ' ASP . 0.6 OUTLIER 155.34 64.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 1.499 ' N ' ' HA ' ' A' ' 1' ' ' ASP . . . -152.39 -57.82 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.868 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . 1.8 mm-40 -153.75 -21.0 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 0.752 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.843 ' HB ' ' CA ' ' A' ' 3' ' ' ASN . 5.4 t -111.51 4.24 8.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . 1.134 ' OG ' ' N ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -138.58 -64.08 0.53 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 109.949 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 1.054 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -79.64 -48.95 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.978 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 1.054 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.3 tp10 -83.71 -6.89 59.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.646 ' HB2' ' CA ' ' A' ' 8' ' ' VAL . 1.6 mm-40 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.24 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 1.465 ' HA ' ' C ' ' A' ' 5' ' ' ASP . 9.7 p-10 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 1.076 ' C ' ' HB2' ' A' ' 7' ' ' GLU . 7.1 mtmt 175.29 35.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.891 ' HA ' HG13 ' A' ' 8' ' ' VAL . 10.0 t30 130.29 -17.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.55 ' C ' ' OG ' ' A' ' 9' ' ' SER . . . -133.09 -10.52 1.95 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.16 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 1.465 ' C ' ' HA ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -165.22 29.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.755 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 1.039 ' O ' ' N ' ' A' ' 8' ' ' VAL . . . -178.67 -105.15 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 111.058 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 1.076 ' HB2' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -16.59 -32.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 1.039 ' N ' ' O ' ' A' ' 6' ' ' GLY . 2.1 m -137.56 -63.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.841 ' HB2' ' N ' ' A' ' 5' ' ' ASP . 69.8 m -51.09 -69.85 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.969 ' CE2' ' HB3' ' A' ' 5' ' ' ASP . 1.0 OUTLIER -104.12 -117.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 1.008 ' N ' ' HA2' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -2.35 -24.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.849 ' HB2' ' C ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 1.246 ' N ' ' HB2' ' A' ' 9' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 1.43 ' H ' ' N ' ' A' ' 9' ' ' SER . 6.1 mtmt 169.1 78.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 1.083 ' H ' ' N ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER 71.17 -22.62 0.19 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.755 ' CA ' ' HA ' ' A' ' 9' ' ' SER . . . -53.07 -23.32 15.99 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.456 1.097 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.819 ' N ' ' HA ' ' A' ' 9' ' ' SER . 12.6 t70 -116.48 -65.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.486 ' O ' ' CD ' ' A' ' 7' ' ' GLU . . . -132.66 -46.8 0.11 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.718 ' C ' ' H ' ' A' ' 3' ' ' ASN . 72.5 mm-40 -157.21 0.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 1.379 ' C ' ' N ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER -157.58 45.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 109.314 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . 1.43 ' N ' ' H ' ' A' ' 2' ' ' LYS . 67.5 m 42.49 34.63 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.996 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 1.095 ' HB3' ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER 114.8 -36.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.933 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.625 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 11.5 tp10 -58.4 -1.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.946 ' CB ' HG23 ' A' ' 8' ' ' VAL . 1.2 tp10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 1.247 ' N ' ' HB2' ' A' ' 9' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 1.432 ' H ' ' N ' ' A' ' 9' ' ' SER . 5.9 mtmt 169.07 78.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 1.079 ' H ' ' N ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER 71.59 -22.67 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.755 ' CA ' ' HA ' ' A' ' 9' ' ' SER . . . -52.85 -23.42 15.19 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.816 ' N ' ' HA ' ' A' ' 9' ' ' SER . 12.5 t70 -116.36 -65.08 1.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.759 . . . . 0.0 109.272 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.489 ' O ' ' CD ' ' A' ' 7' ' ' GLU . . . -132.89 -46.71 0.11 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.71 ' C ' ' H ' ' A' ' 3' ' ' ASN . 76.9 mm-40 -157.35 0.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 1.377 ' C ' ' N ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER -157.62 45.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . 1.432 ' N ' ' H ' ' A' ' 2' ' ' LYS . 69.7 m 42.49 34.58 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.972 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 1.095 ' HB3' ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER 114.84 -36.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.623 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 14.3 tp10 -58.59 -1.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.955 ' CB ' HG23 ' A' ' 8' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 1.046 ' HA ' ' HB3' ' A' ' 10' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 1.305 ' N ' ' H ' ' A' ' 9' ' ' SER . 2.5 mtmt 154.48 -60.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 1.015 ' HA ' ' H ' ' A' ' 7' ' ' GLU . 23.9 t-20 -79.69 -76.61 0.21 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.968 ' CA ' ' HA ' ' A' ' 9' ' ' SER . . . -26.13 -27.69 0.0 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.967 ' CB ' ' HA ' ' A' ' 10' ' ' PHE . 10.1 t0 -117.11 -40.9 3.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 0.805 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.833 ' O ' ' HG2' ' A' ' 11' ' ' GLU . . . 169.31 67.17 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.44 1.087 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 1.015 ' H ' ' HA ' ' A' ' 3' ' ' ASN . 3.1 mm-40 145.98 -59.35 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.479 0.752 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 1.075 ' CB ' ' HB2' ' A' ' 2' ' ' LYS . 11.8 t -132.61 -50.08 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . 1.305 ' H ' ' N ' ' A' ' 2' ' ' LYS . 0.3 OUTLIER 174.43 32.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.032 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 1.092 ' N ' ' H ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER 165.3 18.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.889 ' CA ' ' HA ' ' A' ' 2' ' ' LYS . 74.7 mt-10 49.96 36.07 10.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.56 1.162 . . . . 0.0 110.291 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.888 ' HB3' ' HG3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.77 ' HB3' ' CD2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 1.181 ' N ' ' HA ' ' A' ' 8' ' ' VAL . 1.2 ttmt 61.17 -11.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.741 ' H ' ' C ' ' A' ' 1' ' ' ASP . 3.9 t30 -179.59 -25.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.95 -23.3 11.02 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 111.062 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.814 ' HB3' ' HB2' ' A' ' 9' ' ' SER . 59.7 t0 -124.12 -41.41 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.616 ' N ' ' HB2' ' A' ' 9' ' ' SER . . . 161.75 90.67 0.08 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.541 1.151 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 1.046 ' O ' HG12 ' A' ' 8' ' ' VAL . 19.4 mm-40 52.01 41.27 29.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.281 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 1.181 ' HA ' ' N ' ' A' ' 2' ' ' LYS . 0.9 OUTLIER 94.65 3.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.814 ' HB2' ' HB3' ' A' ' 5' ' ' ASP . 30.6 m -31.94 -46.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.017 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.77 ' CD2' ' HB3' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -69.77 -51.63 32.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 111.057 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.544 ' HG2' ' HB3' ' A' ' 1' ' ' ASP . 9.2 mm-40 -89.46 6.26 41.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 1.116 ' CB ' HG13 ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.339 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 1.243 ' C ' ' HA ' ' A' ' 9' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 1.283 ' N ' ' HA ' ' A' ' 9' ' ' SER . 3.9 ttmt 111.54 34.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 109.325 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.925 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 27.7 t-20 118.63 4.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.97 -50.0 0.18 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.479 1.112 . . . . 0.0 111.073 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.987 ' H ' ' N ' ' A' ' 1' ' ' ASP . 8.0 t0 -73.31 -47.18 44.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.4 0.706 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.729 ' O ' ' CB ' ' A' ' 7' ' ' GLU . . . -129.47 -42.03 0.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.925 ' HA ' ' HA ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER 137.79 24.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 0.776 . . . . 0.0 110.264 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 1.173 ' C ' ' HA ' ' A' ' 2' ' ' LYS . 8.1 p 176.48 19.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 1.283 ' HA ' ' N ' ' A' ' 2' ' ' LYS . 8.5 t 105.59 56.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.021 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 1.008 ' CG ' ' O ' ' A' ' 9' ' ' SER . 7.6 p90 57.58 -14.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.76 ' H ' ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -73.36 -2.69 23.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.937 ' HB2' HG12 ' A' ' 8' ' ' VAL . 10.1 tp10 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 110.335 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 1.095 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 1.249 ' H ' ' N ' ' A' ' 9' ' ' SER . 4.5 mtmt 168.27 93.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.826 ' H ' ' N ' ' A' ' 8' ' ' VAL . 3.1 t30 71.14 -20.2 0.23 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.937 ' HA3' ' OG ' ' A' ' 9' ' ' SER . . . -63.26 -26.24 69.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.557 1.16 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.929 ' N ' ' HA ' ' A' ' 9' ' ' SER . 11.6 t70 -129.61 -61.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.708 ' O ' ' CB ' ' A' ' 12' ' ' GLU . . . -153.84 62.55 0.37 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.443 1.089 . . . . 0.0 111.055 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.758 ' C ' HG22 ' A' ' 8' ' ' VAL . 55.0 mm-40 76.98 15.36 1.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 1.125 ' C ' ' N ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -171.34 35.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 1.249 ' N ' ' H ' ' A' ' 2' ' ' LYS . 0.1 OUTLIER 36.35 27.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.003 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 1.103 ' HB3' ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER 124.4 -36.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.755 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 17.3 tp10 -50.81 -0.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.416 1.072 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.934 ' CB ' HG23 ' A' ' 8' ' ' VAL . 1.6 tp10 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.082 . . . . 0.0 110.285 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 1.483 ' HA ' ' N ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.817 ' H ' ' H ' ' A' ' 7' ' ' GLU . 1.3 ttmt 85.67 22.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 1.006 ' CA ' ' HB ' ' A' ' 8' ' ' VAL . 2.2 t30 153.55 -21.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.811 ' N ' ' HB2' ' A' ' 9' ' ' SER . . . -127.86 -12.82 2.86 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 1.402 ' C ' ' HA ' ' A' ' 1' ' ' ASP . 0.7 OUTLIER 152.71 62.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.581 0.812 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 1.483 ' N ' ' HA ' ' A' ' 1' ' ' ASP . . . -153.17 -55.91 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.835 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . 1.6 mm-40 -155.81 -18.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 1.006 ' HB ' ' CA ' ' A' ' 3' ' ' ASN . 11.1 t -114.15 5.89 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.811 ' HB2' ' N ' ' A' ' 4' ' ' GLY . 0.5 OUTLIER -142.77 -61.19 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.947 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 1.054 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -81.17 -48.61 11.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 110.965 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 1.054 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -85.3 -7.44 58.99 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.611 ' HB2' ' CA ' ' A' ' 8' ' ' VAL . 1.9 mm-40 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 1.382 ' HA ' ' N ' ' A' ' 6' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.809 ' H ' ' H ' ' A' ' 7' ' ' GLU . 0.5 OUTLIER 86.99 22.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 1.001 ' CA ' ' HB ' ' A' ' 8' ' ' VAL . 2.3 t-20 153.87 -22.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.392 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.786 ' N ' ' HB2' ' A' ' 9' ' ' SER . . . -125.95 -11.45 3.93 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.478 1.112 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 1.352 ' C ' ' HA ' ' A' ' 1' ' ' ASP . 3.3 m-20 150.3 62.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 109.251 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 1.382 ' N ' ' HA ' ' A' ' 1' ' ' ASP . . . -153.1 -55.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.108 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.813 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . 2.1 mm-40 -155.35 -18.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 110.252 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 1.001 ' HB ' ' CA ' ' A' ' 3' ' ' ASN . 11.6 t -113.84 4.76 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.786 ' HB2' ' N ' ' A' ' 4' ' ' GLY . 0.5 OUTLIER -141.77 -62.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.987 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 1.056 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -79.05 -48.97 13.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.576 1.173 . . . . 0.0 110.959 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 1.056 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.2 tp10 -85.38 -7.4 58.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.624 ' HB2' ' CA ' ' A' ' 8' ' ' VAL . 2.1 mm-40 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 1.216 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.6 p-10 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.878 ' N ' ' HA3' ' A' ' 6' ' ' GLY . 5.9 mtmt 168.7 42.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.744 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 17.2 t-20 127.14 -63.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.817 ' C ' ' CB ' ' A' ' 9' ' ' SER . . . -86.01 -14.96 65.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 1.216 ' O ' ' HA ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -163.15 28.05 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 109.313 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.966 ' HA3' ' C ' ' A' ' 1' ' ' ASP . . . -166.59 -121.52 0.56 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.861 ' C ' ' HB2' ' A' ' 12' ' ' GLU . 0.0 OUTLIER 0.35 -23.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 0.802 . . . . 0.0 110.321 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.727 ' HA ' ' HB3' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -164.26 -71.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.817 ' CB ' ' C ' ' A' ' 4' ' ' GLY . 3.0 m -27.07 -68.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 1.028 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -120.78 -93.26 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.412 1.07 . . . . 0.0 111.023 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 1.028 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -21.45 -28.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.961 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 1.499 ' HA ' ' N ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.795 ' H ' ' H ' ' A' ' 7' ' ' GLU . 1.5 ttmt 85.5 17.04 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.843 ' CA ' ' HB ' ' A' ' 8' ' ' VAL . 2.1 t-20 161.38 -26.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 1.008 ' N ' ' OG ' ' A' ' 9' ' ' SER . . . -123.06 -14.63 4.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.573 1.171 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 1.403 ' C ' ' HA ' ' A' ' 1' ' ' ASP . 0.6 OUTLIER 155.34 64.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 1.499 ' N ' ' HA ' ' A' ' 1' ' ' ASP . . . -152.39 -57.82 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.868 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . 1.8 mm-40 -153.75 -21.0 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 0.752 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.843 ' HB ' ' CA ' ' A' ' 3' ' ' ASN . 5.4 t -111.51 4.24 8.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . 1.134 ' OG ' ' N ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -138.58 -64.08 0.53 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 109.949 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 1.054 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -79.64 -48.95 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.978 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 1.054 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.3 tp10 -83.71 -6.89 59.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.646 ' HB2' ' CA ' ' A' ' 8' ' ' VAL . 1.6 mm-40 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.24 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 1.465 ' HA ' ' C ' ' A' ' 5' ' ' ASP . 9.7 p-10 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 1.076 ' C ' ' HB2' ' A' ' 7' ' ' GLU . 7.1 mtmt 175.29 35.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.891 ' HA ' HG13 ' A' ' 8' ' ' VAL . 10.0 t30 130.29 -17.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.55 ' C ' ' OG ' ' A' ' 9' ' ' SER . . . -133.09 -10.52 1.95 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.16 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 1.465 ' C ' ' HA ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -165.22 29.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.755 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 1.039 ' O ' ' N ' ' A' ' 8' ' ' VAL . . . -178.67 -105.15 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 111.058 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 1.076 ' HB2' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -16.59 -32.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 1.039 ' N ' ' O ' ' A' ' 6' ' ' GLY . 2.1 m -137.56 -63.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.841 ' HB2' ' N ' ' A' ' 5' ' ' ASP . 69.8 m -51.09 -69.85 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.969 ' CE2' ' HB3' ' A' ' 5' ' ' ASP . 1.0 OUTLIER -104.12 -117.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 1.008 ' N ' ' HA2' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -2.35 -24.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.849 ' HB2' ' C ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 1.246 ' N ' ' HB2' ' A' ' 9' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 1.43 ' H ' ' N ' ' A' ' 9' ' ' SER . 6.1 mtmt 169.1 78.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 1.083 ' H ' ' N ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER 71.17 -22.62 0.19 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.755 ' CA ' ' HA ' ' A' ' 9' ' ' SER . . . -53.07 -23.32 15.99 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.456 1.097 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.819 ' N ' ' HA ' ' A' ' 9' ' ' SER . 12.6 t70 -116.48 -65.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.486 ' O ' ' CD ' ' A' ' 7' ' ' GLU . . . -132.66 -46.8 0.11 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.718 ' C ' ' H ' ' A' ' 3' ' ' ASN . 72.5 mm-40 -157.21 0.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 1.379 ' C ' ' N ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER -157.58 45.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 109.314 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 1.43 ' N ' ' H ' ' A' ' 2' ' ' LYS . 67.5 m 42.49 34.63 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.996 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 1.095 ' HB3' ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER 114.8 -36.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.933 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.625 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 11.5 tp10 -58.4 -1.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.946 ' CB ' HG23 ' A' ' 8' ' ' VAL . 1.2 tp10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 1.247 ' N ' ' HB2' ' A' ' 9' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 1.432 ' H ' ' N ' ' A' ' 9' ' ' SER . 5.9 mtmt 169.07 78.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 1.079 ' H ' ' N ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER 71.59 -22.67 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.755 ' CA ' ' HA ' ' A' ' 9' ' ' SER . . . -52.85 -23.42 15.19 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.816 ' N ' ' HA ' ' A' ' 9' ' ' SER . 12.5 t70 -116.36 -65.08 1.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.759 . . . . 0.0 109.272 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.489 ' O ' ' CD ' ' A' ' 7' ' ' GLU . . . -132.89 -46.71 0.11 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.71 ' C ' ' H ' ' A' ' 3' ' ' ASN . 76.9 mm-40 -157.35 0.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 1.377 ' C ' ' N ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER -157.62 45.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 1.432 ' N ' ' H ' ' A' ' 2' ' ' LYS . 69.7 m 42.49 34.58 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.972 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 1.095 ' HB3' ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER 114.84 -36.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.623 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 14.3 tp10 -58.59 -1.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.955 ' CB ' HG23 ' A' ' 8' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 1.046 ' HA ' ' HB3' ' A' ' 10' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 1.305 ' N ' ' H ' ' A' ' 9' ' ' SER . 2.5 mtmt 154.48 -60.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 1.015 ' HA ' ' H ' ' A' ' 7' ' ' GLU . 23.9 t-20 -79.69 -76.61 0.21 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.968 ' CA ' ' HA ' ' A' ' 9' ' ' SER . . . -26.13 -27.69 0.0 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.967 ' CB ' ' HA ' ' A' ' 10' ' ' PHE . 10.1 t0 -117.11 -40.9 3.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 0.805 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.833 ' O ' ' HG2' ' A' ' 11' ' ' GLU . . . 169.31 67.17 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.44 1.087 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 1.015 ' H ' ' HA ' ' A' ' 3' ' ' ASN . 3.1 mm-40 145.98 -59.35 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.479 0.752 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 1.075 ' CB ' ' HB2' ' A' ' 2' ' ' LYS . 11.8 t -132.61 -50.08 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . 1.305 ' H ' ' N ' ' A' ' 2' ' ' LYS . 0.3 OUTLIER 174.43 32.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.032 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 1.092 ' N ' ' H ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER 165.3 18.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.889 ' CA ' ' HA ' ' A' ' 2' ' ' LYS . 74.7 mt-10 49.96 36.07 10.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.56 1.162 . . . . 0.0 110.291 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.888 ' HB3' ' HG3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.77 ' HB3' ' CD2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 1.181 ' N ' ' HA ' ' A' ' 8' ' ' VAL . 1.2 ttmt 61.17 -11.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.741 ' H ' ' C ' ' A' ' 1' ' ' ASP . 3.9 t30 -179.59 -25.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.95 -23.3 11.02 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 111.062 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.814 ' HB3' ' HB2' ' A' ' 9' ' ' SER . 59.7 t0 -124.12 -41.41 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.616 ' N ' ' HB2' ' A' ' 9' ' ' SER . . . 161.75 90.67 0.08 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.541 1.151 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 1.046 ' O ' HG12 ' A' ' 8' ' ' VAL . 19.4 mm-40 52.01 41.27 29.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.281 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 1.181 ' HA ' ' N ' ' A' ' 2' ' ' LYS . 0.9 OUTLIER 94.65 3.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.814 ' HB2' ' HB3' ' A' ' 5' ' ' ASP . 30.6 m -31.94 -46.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.017 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.77 ' CD2' ' HB3' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -69.77 -51.63 32.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 111.057 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.544 ' HG2' ' HB3' ' A' ' 1' ' ' ASP . 9.2 mm-40 -89.46 6.26 41.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 1.116 ' CB ' HG13 ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.339 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 1.243 ' C ' ' HA ' ' A' ' 9' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 1.283 ' N ' ' HA ' ' A' ' 9' ' ' SER . 3.9 ttmt 111.54 34.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 109.325 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.925 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 27.7 t-20 118.63 4.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.97 -50.0 0.18 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.479 1.112 . . . . 0.0 111.073 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.987 ' H ' ' N ' ' A' ' 1' ' ' ASP . 8.0 t0 -73.31 -47.18 44.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.4 0.706 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.729 ' O ' ' CB ' ' A' ' 7' ' ' GLU . . . -129.47 -42.03 0.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.925 ' HA ' ' HA ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER 137.79 24.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 0.776 . . . . 0.0 110.264 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 1.173 ' C ' ' HA ' ' A' ' 2' ' ' LYS . 8.1 p 176.48 19.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 1.283 ' HA ' ' N ' ' A' ' 2' ' ' LYS . 8.5 t 105.59 56.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.021 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 1.008 ' CG ' ' O ' ' A' ' 9' ' ' SER . 7.6 p90 57.58 -14.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.76 ' H ' ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -73.36 -2.69 23.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.937 ' HB2' HG12 ' A' ' 8' ' ' VAL . 10.1 tp10 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 110.335 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 1.095 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 1.249 ' H ' ' N ' ' A' ' 9' ' ' SER . 4.5 mtmt 168.27 93.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.826 ' H ' ' N ' ' A' ' 8' ' ' VAL . 3.1 t30 71.14 -20.2 0.23 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.937 ' HA3' ' OG ' ' A' ' 9' ' ' SER . . . -63.26 -26.24 69.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.557 1.16 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.929 ' N ' ' HA ' ' A' ' 9' ' ' SER . 11.6 t70 -129.61 -61.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.708 ' O ' ' CB ' ' A' ' 12' ' ' GLU . . . -153.84 62.55 0.37 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.443 1.089 . . . . 0.0 111.055 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.758 ' C ' HG22 ' A' ' 8' ' ' VAL . 55.0 mm-40 76.98 15.36 1.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 1.125 ' C ' ' N ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -171.34 35.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 1.249 ' N ' ' H ' ' A' ' 2' ' ' LYS . 0.1 OUTLIER 36.35 27.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.003 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 1.103 ' HB3' ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER 124.4 -36.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.755 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 17.3 tp10 -50.81 -0.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.416 1.072 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.934 ' CB ' HG23 ' A' ' 8' ' ' VAL . 1.6 tp10 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.082 . . . . 0.0 110.285 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 1.483 ' HA ' ' N ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.817 ' H ' ' H ' ' A' ' 7' ' ' GLU . 1.3 ttmt 85.67 22.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 1.006 ' CA ' ' HB ' ' A' ' 8' ' ' VAL . 2.2 t30 153.55 -21.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.811 ' N ' ' HB2' ' A' ' 9' ' ' SER . . . -127.86 -12.82 2.86 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 1.402 ' C ' ' HA ' ' A' ' 1' ' ' ASP . 0.7 OUTLIER 152.71 62.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.581 0.812 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 1.483 ' N ' ' HA ' ' A' ' 1' ' ' ASP . . . -153.17 -55.91 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.835 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . 1.6 mm-40 -155.81 -18.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 1.006 ' HB ' ' CA ' ' A' ' 3' ' ' ASN . 11.1 t -114.15 5.89 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.811 ' HB2' ' N ' ' A' ' 4' ' ' GLY . 0.5 OUTLIER -142.77 -61.19 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.947 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 1.054 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -81.17 -48.61 11.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 110.965 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 1.054 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -85.3 -7.44 58.99 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.611 ' HB2' ' CA ' ' A' ' 8' ' ' VAL . 1.9 mm-40 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 1.382 ' HA ' ' N ' ' A' ' 6' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.809 ' H ' ' H ' ' A' ' 7' ' ' GLU . 0.5 OUTLIER 86.99 22.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 1.001 ' CA ' ' HB ' ' A' ' 8' ' ' VAL . 1.2 t30 153.87 -22.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.392 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.786 ' N ' ' HB2' ' A' ' 9' ' ' SER . . . -125.95 -11.45 3.93 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.478 1.112 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 1.352 ' C ' ' HA ' ' A' ' 1' ' ' ASP . 3.3 m-20 150.3 62.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 109.251 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 1.382 ' N ' ' HA ' ' A' ' 1' ' ' ASP . . . -153.1 -55.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.108 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.813 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . 2.1 mm-40 -155.35 -18.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 110.252 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 1.001 ' HB ' ' CA ' ' A' ' 3' ' ' ASN . 11.6 t -113.84 4.76 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.786 ' HB2' ' N ' ' A' ' 4' ' ' GLY . 0.5 OUTLIER -141.77 -62.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.987 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 1.056 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -79.05 -48.97 13.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.576 1.173 . . . . 0.0 110.959 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 1.056 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.2 tp10 -85.38 -7.4 58.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.624 ' HB2' ' CA ' ' A' ' 8' ' ' VAL . 2.1 mm-40 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 1.216 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.6 p-10 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.878 ' N ' ' HA3' ' A' ' 6' ' ' GLY . 5.9 mtmt 168.7 42.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.744 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 17.2 t-20 127.14 -63.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.817 ' C ' ' CB ' ' A' ' 9' ' ' SER . . . -86.01 -14.96 65.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 1.216 ' O ' ' HA ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -163.15 28.05 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 109.313 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.966 ' HA3' ' C ' ' A' ' 1' ' ' ASP . . . -166.59 -121.52 0.56 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.861 ' C ' ' HB2' ' A' ' 12' ' ' GLU . 0.0 OUTLIER 0.35 -23.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 0.802 . . . . 0.0 110.321 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.727 ' HA ' ' HB3' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -164.26 -71.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.817 ' CB ' ' C ' ' A' ' 4' ' ' GLY . 3.0 m -27.07 -68.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 1.028 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -120.78 -93.26 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.412 1.07 . . . . 0.0 111.023 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 1.028 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -21.45 -28.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.961 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 1.499 ' HA ' ' N ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.795 ' H ' ' H ' ' A' ' 7' ' ' GLU . 1.5 ttmt 85.5 17.04 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.843 ' CA ' ' HB ' ' A' ' 8' ' ' VAL . 2.1 t-20 161.38 -26.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 1.008 ' N ' ' OG ' ' A' ' 9' ' ' SER . . . -123.06 -14.63 4.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.573 1.171 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 1.403 ' C ' ' HA ' ' A' ' 1' ' ' ASP . 0.6 OUTLIER 155.34 64.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 1.499 ' N ' ' HA ' ' A' ' 1' ' ' ASP . . . -152.39 -57.82 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.868 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . 1.8 mm-40 -153.75 -21.0 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 0.752 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.843 ' HB ' ' CA ' ' A' ' 3' ' ' ASN . 5.4 t -111.51 4.24 8.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 1.134 ' OG ' ' N ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -138.58 -64.08 0.53 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 109.949 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 1.054 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -79.64 -48.95 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.978 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 1.054 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.3 tp10 -83.71 -6.89 59.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.646 ' HB2' ' CA ' ' A' ' 8' ' ' VAL . 1.6 mm-40 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.24 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 1.465 ' HA ' ' C ' ' A' ' 5' ' ' ASP . 9.7 p-10 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 1.076 ' C ' ' HB2' ' A' ' 7' ' ' GLU . 7.1 mtmt 175.29 35.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.891 ' HA ' HG13 ' A' ' 8' ' ' VAL . 10.0 t30 130.29 -17.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.55 ' C ' ' OG ' ' A' ' 9' ' ' SER . . . -133.09 -10.52 1.95 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.16 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 1.465 ' C ' ' HA ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -165.22 29.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.755 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 1.039 ' O ' ' N ' ' A' ' 8' ' ' VAL . . . -178.67 -105.15 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 111.058 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 1.076 ' HB2' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -16.59 -32.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 1.039 ' N ' ' O ' ' A' ' 6' ' ' GLY . 2.1 m -137.56 -63.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.841 ' HB2' ' N ' ' A' ' 5' ' ' ASP . 69.8 m -51.09 -69.85 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.969 ' CE2' ' HB3' ' A' ' 5' ' ' ASP . 1.0 OUTLIER -104.12 -117.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 1.008 ' N ' ' HA2' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -2.35 -24.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.849 ' HB2' ' C ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 1.246 ' N ' ' HB2' ' A' ' 9' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 1.43 ' H ' ' N ' ' A' ' 9' ' ' SER . 6.1 mtmt 169.1 78.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 1.083 ' H ' ' N ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER 71.17 -22.62 0.19 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.755 ' CA ' ' HA ' ' A' ' 9' ' ' SER . . . -53.07 -23.32 15.99 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.456 1.097 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.819 ' N ' ' HA ' ' A' ' 9' ' ' SER . 12.6 t70 -116.48 -65.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.486 ' O ' ' CD ' ' A' ' 7' ' ' GLU . . . -132.66 -46.8 0.11 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.718 ' C ' ' H ' ' A' ' 3' ' ' ASN . 72.5 mm-40 -157.21 0.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 1.379 ' C ' ' N ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER -157.58 45.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 109.314 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 1.43 ' N ' ' H ' ' A' ' 2' ' ' LYS . 67.5 m 42.49 34.63 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.996 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 1.095 ' HB3' ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER 114.8 -36.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.933 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.625 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 11.5 tp10 -58.4 -1.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.946 ' CB ' HG23 ' A' ' 8' ' ' VAL . 1.2 tp10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 1.247 ' N ' ' HB2' ' A' ' 9' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 1.432 ' H ' ' N ' ' A' ' 9' ' ' SER . 5.9 mtmt 169.07 78.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 1.079 ' H ' ' N ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER 71.59 -22.67 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.755 ' CA ' ' HA ' ' A' ' 9' ' ' SER . . . -52.85 -23.42 15.19 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.816 ' N ' ' HA ' ' A' ' 9' ' ' SER . 12.5 t70 -116.36 -65.08 1.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.759 . . . . 0.0 109.272 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.489 ' O ' ' CD ' ' A' ' 7' ' ' GLU . . . -132.89 -46.71 0.11 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.71 ' C ' ' H ' ' A' ' 3' ' ' ASN . 76.9 mm-40 -157.35 0.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 1.377 ' C ' ' N ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER -157.62 45.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 1.432 ' N ' ' H ' ' A' ' 2' ' ' LYS . 69.7 m 42.49 34.58 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.972 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 1.095 ' HB3' ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER 114.84 -36.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.623 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 14.3 tp10 -58.59 -1.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.955 ' CB ' HG23 ' A' ' 8' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 1.046 ' HA ' ' HB3' ' A' ' 10' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 1.305 ' N ' ' H ' ' A' ' 9' ' ' SER . 2.5 mtmt 154.48 -60.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 1.015 ' HA ' ' H ' ' A' ' 7' ' ' GLU . 23.9 t-20 -79.69 -76.61 0.21 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.968 ' CA ' ' HA ' ' A' ' 9' ' ' SER . . . -26.13 -27.69 0.0 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.967 ' CB ' ' HA ' ' A' ' 10' ' ' PHE . 10.1 t0 -117.11 -40.9 3.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 0.805 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.833 ' O ' ' HG2' ' A' ' 11' ' ' GLU . . . 169.31 67.17 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.44 1.087 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 1.015 ' H ' ' HA ' ' A' ' 3' ' ' ASN . 3.1 mm-40 145.98 -59.35 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.479 0.752 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 1.075 ' CB ' ' HB2' ' A' ' 2' ' ' LYS . 11.8 t -132.61 -50.08 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 1.305 ' H ' ' N ' ' A' ' 2' ' ' LYS . 0.3 OUTLIER 174.43 32.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.032 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 1.092 ' N ' ' H ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER 165.3 18.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.889 ' CA ' ' HA ' ' A' ' 2' ' ' LYS . 74.7 mt-10 49.96 36.07 10.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.56 1.162 . . . . 0.0 110.291 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.888 ' HB3' ' HG3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.77 ' HB3' ' CD2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 1.181 ' N ' ' HA ' ' A' ' 8' ' ' VAL . 1.2 ttmt 61.17 -11.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.741 ' H ' ' C ' ' A' ' 1' ' ' ASP . 3.9 t30 -179.59 -25.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.95 -23.3 11.02 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 111.062 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.814 ' HB3' ' HB2' ' A' ' 9' ' ' SER . 59.7 t0 -124.12 -41.41 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.616 ' N ' ' HB2' ' A' ' 9' ' ' SER . . . 161.75 90.67 0.08 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.541 1.151 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 1.046 ' O ' HG12 ' A' ' 8' ' ' VAL . 19.4 mm-40 52.01 41.27 29.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.281 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 1.181 ' HA ' ' N ' ' A' ' 2' ' ' LYS . 0.9 OUTLIER 94.65 3.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.814 ' HB2' ' HB3' ' A' ' 5' ' ' ASP . 30.6 m -31.94 -46.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.017 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.77 ' CD2' ' HB3' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -69.77 -51.63 32.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 111.057 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.544 ' HG2' ' HB3' ' A' ' 1' ' ' ASP . 9.2 mm-40 -89.46 6.26 41.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 1.116 ' CB ' HG13 ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.339 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 1.243 ' C ' ' HA ' ' A' ' 9' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 1.283 ' N ' ' HA ' ' A' ' 9' ' ' SER . 3.9 ttmt 111.54 34.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 109.325 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.925 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 27.7 t-20 118.63 4.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.97 -50.0 0.18 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.479 1.112 . . . . 0.0 111.073 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.987 ' H ' ' N ' ' A' ' 1' ' ' ASP . 8.0 t0 -73.31 -47.18 44.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.4 0.706 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.729 ' O ' ' CB ' ' A' ' 7' ' ' GLU . . . -129.47 -42.03 0.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.925 ' HA ' ' HA ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER 137.79 24.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 0.776 . . . . 0.0 110.264 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 1.173 ' C ' ' HA ' ' A' ' 2' ' ' LYS . 8.1 p 176.48 19.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 1.283 ' HA ' ' N ' ' A' ' 2' ' ' LYS . 8.5 t 105.59 56.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.021 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 1.008 ' CG ' ' O ' ' A' ' 9' ' ' SER . 7.6 p90 57.58 -14.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.76 ' H ' ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -73.36 -2.69 23.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.937 ' HB2' HG12 ' A' ' 8' ' ' VAL . 10.1 tp10 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 110.335 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 1.095 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 1.249 ' H ' ' N ' ' A' ' 9' ' ' SER . 4.5 mtmt 168.27 93.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.826 ' H ' ' N ' ' A' ' 8' ' ' VAL . 3.1 t30 71.14 -20.2 0.23 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.937 ' HA3' ' OG ' ' A' ' 9' ' ' SER . . . -63.26 -26.24 69.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.557 1.16 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.929 ' N ' ' HA ' ' A' ' 9' ' ' SER . 11.6 t70 -129.61 -61.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.708 ' O ' ' CB ' ' A' ' 12' ' ' GLU . . . -153.84 62.55 0.37 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.443 1.089 . . . . 0.0 111.055 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.758 ' C ' HG22 ' A' ' 8' ' ' VAL . 55.0 mm-40 76.98 15.36 1.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 1.125 ' C ' ' N ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -171.34 35.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 1.249 ' N ' ' H ' ' A' ' 2' ' ' LYS . 0.1 OUTLIER 36.35 27.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.003 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 1.103 ' HB3' ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER 124.4 -36.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.755 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 17.3 tp10 -50.81 -0.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.416 1.072 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.934 ' CB ' HG23 ' A' ' 8' ' ' VAL . 1.6 tp10 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.082 . . . . 0.0 110.285 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 1.483 ' HA ' ' N ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.817 ' H ' ' H ' ' A' ' 7' ' ' GLU . 1.3 ttmt 85.67 22.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 1.006 ' CA ' ' HB ' ' A' ' 8' ' ' VAL . 2.2 t30 153.55 -21.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.811 ' N ' ' HB2' ' A' ' 9' ' ' SER . . . -127.86 -12.82 2.86 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 1.402 ' C ' ' HA ' ' A' ' 1' ' ' ASP . 0.7 OUTLIER 152.71 62.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.581 0.812 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 1.483 ' N ' ' HA ' ' A' ' 1' ' ' ASP . . . -153.17 -55.91 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.835 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . 1.6 mm-40 -155.81 -18.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 1.006 ' HB ' ' CA ' ' A' ' 3' ' ' ASN . 11.1 t -114.15 5.89 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.811 ' HB2' ' N ' ' A' ' 4' ' ' GLY . 0.5 OUTLIER -142.77 -61.19 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.947 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 1.054 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -81.17 -48.61 11.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 110.965 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 1.054 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -85.3 -7.44 58.99 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.611 ' HB2' ' CA ' ' A' ' 8' ' ' VAL . 1.9 mm-40 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 1.382 ' HA ' ' N ' ' A' ' 6' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.809 ' H ' ' H ' ' A' ' 7' ' ' GLU . 0.5 OUTLIER 86.99 22.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 1.001 ' CA ' ' HB ' ' A' ' 8' ' ' VAL . 1.2 t30 153.87 -22.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.392 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.786 ' N ' ' HB2' ' A' ' 9' ' ' SER . . . -125.95 -11.45 3.93 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.478 1.112 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 1.352 ' C ' ' HA ' ' A' ' 1' ' ' ASP . 3.3 m-20 150.3 62.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 109.251 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 1.382 ' N ' ' HA ' ' A' ' 1' ' ' ASP . . . -153.1 -55.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.108 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.813 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . 2.1 mm-40 -155.35 -18.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 110.252 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 1.001 ' HB ' ' CA ' ' A' ' 3' ' ' ASN . 11.6 t -113.84 4.76 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.786 ' HB2' ' N ' ' A' ' 4' ' ' GLY . 0.5 OUTLIER -141.77 -62.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.987 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 1.056 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -79.05 -48.97 13.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.576 1.173 . . . . 0.0 110.959 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 1.056 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.2 tp10 -85.38 -7.4 58.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.624 ' HB2' ' CA ' ' A' ' 8' ' ' VAL . 2.1 mm-40 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 1.216 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.6 p-10 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.878 ' N ' ' HA3' ' A' ' 6' ' ' GLY . 5.9 mtmt 168.7 42.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.744 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 17.2 t-20 127.14 -63.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.817 ' C ' ' CB ' ' A' ' 9' ' ' SER . . . -86.01 -14.96 65.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 1.216 ' O ' ' HA ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -163.15 28.05 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 109.313 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.966 ' HA3' ' C ' ' A' ' 1' ' ' ASP . . . -166.59 -121.52 0.56 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.861 ' C ' ' HB2' ' A' ' 12' ' ' GLU . 0.0 OUTLIER 0.35 -23.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 0.802 . . . . 0.0 110.321 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.727 ' HA ' ' HB3' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -164.26 -71.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.817 ' CB ' ' C ' ' A' ' 4' ' ' GLY . 3.0 m -27.07 -68.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 1.028 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -120.78 -93.26 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.412 1.07 . . . . 0.0 111.023 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 1.028 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -21.45 -28.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.961 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 1.499 ' HA ' ' N ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.795 ' H ' ' H ' ' A' ' 7' ' ' GLU . 1.5 ttmt 85.5 17.04 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.843 ' CA ' ' HB ' ' A' ' 8' ' ' VAL . 2.1 t-20 161.38 -26.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 1.008 ' N ' ' OG ' ' A' ' 9' ' ' SER . . . -123.06 -14.63 4.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.573 1.171 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 1.403 ' C ' ' HA ' ' A' ' 1' ' ' ASP . 0.6 OUTLIER 155.34 64.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 1.499 ' N ' ' HA ' ' A' ' 1' ' ' ASP . . . -152.39 -57.82 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.868 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . 1.8 mm-40 -153.75 -21.0 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 0.752 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.843 ' HB ' ' CA ' ' A' ' 3' ' ' ASN . 5.4 t -111.51 4.24 8.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 1.134 ' OG ' ' N ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -138.58 -64.08 0.53 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 109.949 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 1.054 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -79.64 -48.95 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.978 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 1.054 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.3 tp10 -83.71 -6.89 59.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.646 ' HB2' ' CA ' ' A' ' 8' ' ' VAL . 1.6 mm-40 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.24 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 1.465 ' HA ' ' C ' ' A' ' 5' ' ' ASP . 9.7 p-10 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 1.076 ' C ' ' HB2' ' A' ' 7' ' ' GLU . 7.1 mtmt 175.29 35.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.891 ' HA ' HG13 ' A' ' 8' ' ' VAL . 10.0 t30 130.29 -17.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.55 ' C ' ' OG ' ' A' ' 9' ' ' SER . . . -133.09 -10.52 1.95 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.16 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 1.465 ' C ' ' HA ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -165.22 29.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.755 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 1.039 ' O ' ' N ' ' A' ' 8' ' ' VAL . . . -178.67 -105.15 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 111.058 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 1.076 ' HB2' ' C ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -16.59 -32.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 1.039 ' N ' ' O ' ' A' ' 6' ' ' GLY . 2.1 m -137.56 -63.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.841 ' HB2' ' N ' ' A' ' 5' ' ' ASP . 69.8 m -51.09 -69.85 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.969 ' CE2' ' HB3' ' A' ' 5' ' ' ASP . 1.0 OUTLIER -104.12 -117.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 1.008 ' N ' ' HA2' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -2.35 -24.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.849 ' HB2' ' C ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 1.246 ' N ' ' HB2' ' A' ' 9' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 1.43 ' H ' ' N ' ' A' ' 9' ' ' SER . 6.1 mtmt 169.1 78.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 1.083 ' H ' ' N ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER 71.17 -22.62 0.19 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.755 ' CA ' ' HA ' ' A' ' 9' ' ' SER . . . -53.07 -23.32 15.99 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.456 1.097 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.819 ' N ' ' HA ' ' A' ' 9' ' ' SER . 12.6 t70 -116.48 -65.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.486 ' O ' ' CD ' ' A' ' 7' ' ' GLU . . . -132.66 -46.8 0.11 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.718 ' C ' ' H ' ' A' ' 3' ' ' ASN . 72.5 mm-40 -157.21 0.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 1.379 ' C ' ' N ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER -157.58 45.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 109.314 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 1.43 ' N ' ' H ' ' A' ' 2' ' ' LYS . 67.5 m 42.49 34.63 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.996 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 1.095 ' HB3' ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER 114.8 -36.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.933 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.625 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 11.5 tp10 -58.4 -1.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.946 ' CB ' HG23 ' A' ' 8' ' ' VAL . 1.2 tp10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 1.247 ' N ' ' HB2' ' A' ' 9' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 1.432 ' H ' ' N ' ' A' ' 9' ' ' SER . 5.9 mtmt 169.07 78.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 1.079 ' H ' ' N ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER 71.59 -22.67 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.755 ' CA ' ' HA ' ' A' ' 9' ' ' SER . . . -52.85 -23.42 15.19 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.816 ' N ' ' HA ' ' A' ' 9' ' ' SER . 12.5 t70 -116.36 -65.08 1.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.759 . . . . 0.0 109.272 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.489 ' O ' ' CD ' ' A' ' 7' ' ' GLU . . . -132.89 -46.71 0.11 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.71 ' C ' ' H ' ' A' ' 3' ' ' ASN . 76.9 mm-40 -157.35 0.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 1.377 ' C ' ' N ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER -157.62 45.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 1.432 ' N ' ' H ' ' A' ' 2' ' ' LYS . 69.7 m 42.49 34.58 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.972 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 1.095 ' HB3' ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER 114.84 -36.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.623 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 14.3 tp10 -58.59 -1.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.955 ' CB ' HG23 ' A' ' 8' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 1.046 ' HA ' ' HB3' ' A' ' 10' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 1.305 ' N ' ' H ' ' A' ' 9' ' ' SER . 2.5 mtmt 154.48 -60.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 1.015 ' HA ' ' H ' ' A' ' 7' ' ' GLU . 23.9 t-20 -79.69 -76.61 0.21 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.968 ' CA ' ' HA ' ' A' ' 9' ' ' SER . . . -26.13 -27.69 0.0 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.967 ' CB ' ' HA ' ' A' ' 10' ' ' PHE . 10.1 t0 -117.11 -40.9 3.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 0.805 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.833 ' O ' ' HG2' ' A' ' 11' ' ' GLU . . . 169.31 67.17 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.44 1.087 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 1.015 ' H ' ' HA ' ' A' ' 3' ' ' ASN . 3.1 mm-40 145.98 -59.35 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.479 0.752 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 1.075 ' CB ' ' HB2' ' A' ' 2' ' ' LYS . 11.8 t -132.61 -50.08 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 1.305 ' H ' ' N ' ' A' ' 2' ' ' LYS . 0.3 OUTLIER 174.43 32.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.032 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 1.092 ' N ' ' H ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER 165.3 18.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.889 ' CA ' ' HA ' ' A' ' 2' ' ' LYS . 74.7 mt-10 49.96 36.07 10.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.56 1.162 . . . . 0.0 110.291 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.888 ' HB3' ' HG3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 stop_ save_